chempirical

Pyrrolidonyl-β-naphthylamide

C15H14N2O2CAS 22155-91-5254.29 g/mol

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ONHOHN

Properties

Molecular formula
C15H14N2O2
Molar mass
254.29 g/mol
Exact mass
254.1055 Da
logP
3.55Crippen estimate
Polar surface area
65.2 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

Warning
Environmental Hazard (GHS09)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number
22155-91-5
SMILES
OC1=N[C@H](C(O)=Nc2ccc3ccccc3c2)CC1
InChIKey
BZEPQNMASTUAMY-ZDUSSCGKSA-N
InChI
InChI=1S/C15H14N2O2/c18-14-8-7-13(17-14)15(19)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,19)(H,17,18)/t13-/m0/s1

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Names and synonyms

7 names
  • 2-Pyrrolidinecarboxamide, N-2-naphthalenyl-5-oxo-, (2S)-
  • 2-Pyrrolidinecarboxamide, N-2-naphthyl-5-oxo-, L-
  • 2-Pyrrolidinecarboxamide, N-2-naphthalenyl-5-oxo-, (S)-
  • (2S)-N-2-Naphthalenyl-5-oxo-2-pyrrolidinecarboxamide
  • L-Pyrrolidonecarboxy-β-naphthylamide
  • L-N-β-Naphthyl-5-oxo-2-pyrrolidinecarboxamide
  • (2S)-N-Naphthalen-2-yl-5-oxopyrrolidine-2-carboxamide

Work with Pyrrolidonyl-β-naphthylamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-2-Amino-5-(naphthalen-2-ylamino)-5-oxopentanoic acid14525-44-152 % similar Alanine β-naphthylamide720-82-151 % similar Leucine 2-naphthylamide hydrochloride893-36-746 % similar 3-Hydroxy-N-2-naphthalenyl-2-naphthalenecarboxamide135-64-840 % similar Pyroglutamic acid149-87-137 % similar (+)-Pyroglutamic acid4042-36-837 % similar L-Pyroglutamic acid98-79-337 % similar (αR)-α-(Acetylamino)-2-naphthalenepropanoic acid37440-01-034 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Eslicarbazepine104746-04-5 Licarbazepine29331-92-8 Nepafenac78281-72-8

Elsewhere

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