chempirical

1-Benzyl-3-acetamidopyrrolidine

C13H18N2OCAS 28506-01-6218.30 g/mol

Open in Covalent MOL file
OHNN
AmideTertiary amine

Properties

Molecular formula
C13H18N2O
Molar mass
218.30 g/mol
Exact mass
218.1419 Da
logP
1.40Crippen estimate
Polar surface area
32.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
28506-01-6
SMILES
CC(=O)NC1CCN(C1)CC2=CC=CC=C2
InChIKey
CMSWETNAAPYFSH-UHFFFAOYSA-N
InChI
InChI=1S/C13H18N2O/c1-11(16)14-13-7-8-15(10-13)9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,14,16)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Benzyl-3-acetamidopyrrolidine

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)-(-)-1-Benzyl-3-(boc-amino)pyrrolidine131852-53-462 % similar (3R)-(+)-1-Benzyl-3-(tert-butoxycarbonylamino)pyrrolidine131878-23-462 % similar (3S)-(+)-1-Benzyl-3-(methylamino)pyrrolidine169749-99-960 % similar N-Methyl-1-(phenylmethyl)-4-piperidinamine7006-50-051 % similar 1-Benzyl-pyrrolidine-3-carboxylic acid amide115687-29-151 % similar N-Benzyl-3-pyrrolidinecarboxylic acid5731-18-051 % similar Methyl N-benzyl-3-pyrrolidinecarboxylate17012-21-451 % similar 4-Ibp155798-08-651 % similar

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

Same formula

5-Methoxy-N,N-dimethyltryptamine1019-45-0 1-[4-(4-Methyl-1-piperazinyl)phenyl]ethanone26586-55-0 2-Amino-N-cyclohexylbenzamide56814-11-0

Elsewhere

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