2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

C24H28N2O4 — CID 97488182

IUPAC2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)C=C2
InChIInChI=1S/C24H28N2O4/c1-17(9-10-18-7-5-4-6-8-18)25-23(27)16-26-12-11-19-13-21(29-2)22(30-3)14-20(19)15-24(26)28/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyFRXSWBVQXUDCKW-KRWDZBQOSA-N
MW408.50 g/mol
LogP3.20
Rot. Bonds8

About 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide (PubChem CID 97488182) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
PubChem CID97488182
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
SMILESCOc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)C=C2
InChIInChI=1S/C24H28N2O4/c1-17(9-10-18-7-5-4-6-8-18)25-23(27)16-26-12-11-19-13-21(29-2)22(30-3)14-20(19)15-24(26)28/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,25,27)/t17-/m0/s1
InChIKeyFRXSWBVQXUDCKW-KRWDZBQOSA-N
XLogP3.20
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 75489109
N-[(2S)-4-phenylbutan-2-yl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30803663
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
CID 71826016
7,8-dimethoxy-3-[2-[(2R)-2-(4-methoxynaphthalen-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-1H-3-benzazepin-2-one
CID 97488818
2-phenyl-N-[4-(3,4,5-trimethoxyphenyl)butan-2-yl]acetamide
CID 23739276
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
3-oxo-3-(4-phenylbutan-2-ylamino)propanoic acid
CID 55049062
2-[5-methoxy-4-oxo-2-(piperidin-1-ylmethyl)-1-pyridinyl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 97266257
1-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[(2R)-4-phenylbutan-2-yl]urea
CID 7552478
2-[2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-methoxy-4-oxo-1-pyridinyl]-N-(4-phenylbutan-2-yl)acetamide
CID 71703582
methyl 3-methoxy-4-[2-oxo-2-(4-phenylbutan-2-ylamino)ethoxy]benzoate
CID 17438151

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide (CID 97488182) is 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide is COc1cc2c(cc1OC)CC(=O)N(CC(=O)N[C@@H](C)CCc1ccccc1)C=C2.
What is the InChIKey of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
The InChIKey is FRXSWBVQXUDCKW-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-17(9-10-18-7-5-4-6-8-18)25-23(27)16-26-12-11-19-13-21(29-2)22(30-3)14-20(19)15-24(26)28/h4-8,11-14,17H,9-10,15-16H2,1-3H3,(H,25,27)/t17-/m0/s1.
What are the key properties of 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide?
2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide has a molecular weight of 408.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 97488182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).