4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid

C₂₂H₂₅NO₃CAS 102121-60-8351.45 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₂₂H₂₅NO₃
Molar mass: 351.45 g/mol
Exact mass: 351.1834 Da
Melting point: 233–235 °C
logP: 4.99Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

Identifiers

CAS number

102121-60-8

SMILES

CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ccc(C(=O)O)cc3)ccc21

InChIKey

SZWKGOZKRMMLAJ-UHFFFAOYSA-N

InChI

InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-15(7-10-17(18)21)19(24)23-16-8-5-14(6-9-16)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)

Weigh it out

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

Names and synonyms

5 names

Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]-
Am 580
Ro 40-6055
CD 336
NSC 608001

Work with 4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid

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

Ttnpb71441-28-659 % similar Bexarotene153559-49-053 % similar 4-(Methylamino)benzoic acid10541-83-042 % similar 4-[(Aminothioxomethyl)amino]benzoic acid7366-56-541 % similar Palovarotene410528-02-840 % similar 4-Hydrazinobenzoic acid619-67-040 % similar Para-tert-butylbenzoic acid98-73-739 % similar 4-Guanidinobenzoic acid hydrochloride42823-46-138 % similar

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

Same formula

Tamibarotene94497-51-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook