(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide

C20H22N2O3 — CID 124546293

IUPAC(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
SMILESCO[C@](C)(C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(25-2,15-8-4-3-5-9-15)19(24)21-16-11-12-17-14(13-16)7-6-10-18(23)22-17/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,21,24)(H,22,23)/t20-/m0/s1
InChIKeyAFZXVFJVNGIUPC-FQEVSTJZSA-N
MW338.41 g/mol
LogP3.46
Rot. Bonds4

About (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide

(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide (PubChem CID 124546293) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
PubChem CID124546293
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide
SMILESCO[C@](C)(C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1
InChIInChI=1S/C20H22N2O3/c1-20(25-2,15-8-4-3-5-9-15)19(24)21-16-11-12-17-14(13-16)7-6-10-18(23)22-17/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,21,24)(H,22,23)/t20-/m0/s1
InChIKeyAFZXVFJVNGIUPC-FQEVSTJZSA-N
XLogP3.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide;hydrochloride
CID 120591738
3-amino-2,2,3-trimethyl-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 65264946
4-(methoxymethyl)-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 120631048
4-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)piperidine-4-carboxamide;hydrochloride
CID 119775305
2,2-dimethyl-3-oxo-3-[(2-oxo-1,3-dihydroindol-5-yl)amino]propanoic acid
CID 115163929
N-(2,3-dihydro-1H-indol-5-yl)-2-methyl-2-phenylpropanamide
CID 63253292
7-[3-(trifluoromethyl)anilino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 86342434
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
3-hydroxy-N-(2-oxo-1,3-dihydroindol-5-yl)-3-phenylbutanamide
CID 110025383
1-(4-tert-butylphenyl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 39215283
2-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-phenylpropanamide;hydrochloride
CID 120586675
4-amino-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)butanamide
CID 119318721

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide?
The IUPAC name of (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide (CID 124546293) is (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide?
The canonical SMILES for (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide is CO[C@](C)(C(=O)Nc1ccc2c(c1)CCCC(=O)N2)c1ccccc1.
What is the InChIKey of (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide?
The InChIKey is AFZXVFJVNGIUPC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(25-2,15-8-4-3-5-9-15)19(24)21-16-11-12-17-14(13-16)7-6-10-18(23)22-17/h3-5,8-9,11-13H,6-7,10H2,1-2H3,(H,21,24)(H,22,23)/t20-/m0/s1.
What are the key properties of (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide?
(2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide has a molecular weight of 338.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxy-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-2-phenylpropanamide is sourced from PubChem (CID 124546293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).