N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide

C21H23N3O2 — CID 126770182

IUPACN-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide
SMILESO=C1CCCc2cc(NC(C(=O)NC3CC3)c3ccccc3)ccc2N1
InChIInChI=1S/C21H23N3O2/c25-19-8-4-7-15-13-17(11-12-18(15)24-19)22-20(14-5-2-1-3-6-14)21(26)23-16-9-10-16/h1-3,5-6,11-13,16,20,22H,4,7-10H2,(H,23,26)(H,24,25)
InChIKeyVAANOJDZDARUSZ-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.39
Rot. Bonds5

About N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide

N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide (PubChem CID 126770182) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide
PubChem CID126770182
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide
SMILESO=C1CCCc2cc(NC(C(=O)NC3CC3)c3ccccc3)ccc2N1
InChIInChI=1S/C21H23N3O2/c25-19-8-4-7-15-13-17(11-12-18(15)24-19)22-20(14-5-2-1-3-6-14)21(26)23-16-9-10-16/h1-3,5-6,11-13,16,20,22H,4,7-10H2,(H,23,26)(H,24,25)
InChIKeyVAANOJDZDARUSZ-UHFFFAOYSA-N
XLogP3.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]-2-phenylacetamide
CID 20864416
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-phenylacetamide
CID 78807692
(2R)-2-(4-bromo-3-methylanilino)-N-cyclopropyl-2-phenylacetamide
CID 25356041
N-cyclopentyl-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39896851
2-(4-tert-butylanilino)-N-cyclopropyl-2-phenylacetamide
CID 60597929
7-[chloro(phenyl)methyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61086259
(2S)-N-cyclopropyl-2-[3-(hydroxymethyl)-4-methoxyanilino]-2-phenylacetamide
CID 94796172
(2R)-N-[3-[[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]amino]phenyl]-2-methoxypropanamide
CID 52507919
2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
CID 120591738
(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
CID 124546293
2-(diethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 71879037
(2R)-2-[ethyl(methyl)amino]-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 95325616

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide?
The IUPAC name of N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide (CID 126770182) is N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide.
What is the SMILES notation for N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide?
The canonical SMILES for N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide is O=C1CCCc2cc(NC(C(=O)NC3CC3)c3ccccc3)ccc2N1.
What is the InChIKey of N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide?
The InChIKey is VAANOJDZDARUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c25-19-8-4-7-15-13-17(11-12-18(15)24-19)22-20(14-5-2-1-3-6-14)21(26)23-16-9-10-16/h1-3,5-6,11-13,16,20,22H,4,7-10H2,(H,23,26)(H,24,25).
What are the key properties of N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide?
N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide has a molecular weight of 349.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)amino]-2-phenylacetamide is sourced from PubChem (CID 126770182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).