2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride

C19H22ClN3O2 — CID 120591738

IUPAC2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-19(20,14-7-3-2-4-8-14)18(24)21-15-10-11-16-13(12-15)6-5-9-17(23)22-16;/h2-4,7-8,10-12H,5-6,9,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyKDBODICLZRKDKW-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.20
Rot. Bonds3

About 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride

2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride (PubChem CID 120591738) has the molecular formula C19H22ClN3O2 and a molecular weight of 359.86 g/mol. Its IUPAC name is 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
PubChem CID120591738
Molecular FormulaC19H22ClN3O2
Molecular Weight359.86 g/mol
Exact Mass359.14
IUPAC Name2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
SMILESCC(N)(C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1.Cl
InChIInChI=1S/C19H21N3O2.ClH/c1-19(20,14-7-3-2-4-8-14)18(24)21-15-10-11-16-13(12-15)6-5-9-17(23)22-16;/h2-4,7-8,10-12H,5-6,9,20H2,1H3,(H,21,24)(H,22,23);1H
InChIKeyKDBODICLZRKDKW-UHFFFAOYSA-N
XLogP3.20
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
CID 124546293
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
2-amino-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120589439
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-phenylpropanamide
CID 63253292
2-(1-methylindol-3-yl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)acetamide
CID 56824846
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 61154271
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 86342434
7-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)heptanamide
CID 119775274

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride (CID 120591738) is 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride is CC(N)(C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1.Cl.
What is the InChIKey of 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride?
The InChIKey is KDBODICLZRKDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2.ClH/c1-19(20,14-7-3-2-4-8-14)18(24)21-15-10-11-16-13(12-15)6-5-9-17(23)22-16;/h2-4,7-8,10-12H,5-6,9,20H2,1H3,(H,21,24)(H,22,23);1H.
What are the key properties of 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride?
2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride has a molecular weight of 359.86 g/mol, XLogP of 3.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 120591738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).