2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

C20H22N2O2 — CID 108784440

IUPAC2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1
InChIInChI=1S/C20H22N2O2/c1-13(2)14-6-9-17(10-7-14)21-20(24)16-8-11-18-15(12-16)4-3-5-19(23)22-18/h6-13H,3-5H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUDUYWMPDZBICZ-UHFFFAOYSA-N
MW322.41 g/mol
LogP4.34
Rot. Bonds3

About 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide

2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (PubChem CID 108784440) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
PubChem CID108784440
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1
InChIInChI=1S/C20H22N2O2/c1-13(2)14-6-9-17(10-7-14)21-20(24)16-8-11-18-15(12-16)4-3-5-19(23)22-18/h6-13H,3-5H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyLUDUYWMPDZBICZ-UHFFFAOYSA-N
XLogP4.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dichloro-4-hydroxyphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108797826
dimethyl 5-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]benzene-1,3-dicarboxylate
CID 108784566
N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-[(4-propan-2-ylbenzoyl)amino]thiophene-3-carboxamide
CID 55965676
N-[4-(dimethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 34547299
4-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
CID 43696909
N-(3-chloro-2-methylphenyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 39889362
N-(3-chloro-4-methylphenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 17421453
2-methyl-2-[4-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]phenyl]propanoic acid
CID 119254165
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide;hydrochloride
CID 119525966
N-(4-chloro-2-pyridinyl)-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784501
1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 46282208
4-methyl-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carbonyl)amino]-N-phenyl-1,3-thiazole-5-carboxamide
CID 108784552

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The IUPAC name of 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide (CID 108784440) is 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide.
What is the SMILES notation for 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The canonical SMILES for 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)cc1.
What is the InChIKey of 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
The InChIKey is LUDUYWMPDZBICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13(2)14-6-9-17(10-7-14)21-20(24)16-8-11-18-15(12-16)4-3-5-19(23)22-18/h6-13H,3-5H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide?
2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-propan-2-ylphenyl)-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide is sourced from PubChem (CID 108784440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).