2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide

C20H22N2O2 — CID 50758002

IUPAC2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(16-8-3-2-4-9-16)21-19(23)14-22-18-12-6-5-10-17(18)11-7-13-20(22)24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,21,23)
InChIKeyRWNNQESCSSRLLL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide (PubChem CID 50758002) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
PubChem CID50758002
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide
SMILESCC(NC(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C20H22N2O2/c1-15(16-8-3-2-4-9-16)21-19(23)14-22-18-12-6-5-10-17(18)11-7-13-20(22)24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,21,23)
InChIKeyRWNNQESCSSRLLL-UHFFFAOYSA-N
XLogP3.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 92742582
2-(3-oxo-1,4-benzoxazin-4-yl)-N-(1-phenylethyl)acetamide
CID 3239944
N-[(1R,2R)-2-methylcyclopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 95702472
2-(1,3-dioxo-4H-isoquinolin-2-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032875
2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)-N-(1-phenylethyl)acetamide
CID 75465727
3-methyl-2-[[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]amino]pentanoic acid
CID 119212127
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-prop-2-enylacetamide
CID 100831100
3-(3,4-dihydro-2H-quinolin-1-yl)-N-(1-phenylethyl)propanamide
CID 24588515
2-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 8014784
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906379
N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-phenylacetamide
CID 146122799
sodium 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetate
CID 143402050

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide (CID 50758002) is 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide is CC(NC(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1.
What is the InChIKey of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide?
The InChIKey is RWNNQESCSSRLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-15(16-8-3-2-4-9-16)21-19(23)14-22-18-12-6-5-10-17(18)11-7-13-20(22)24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,21,23).
What are the key properties of 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide?
2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 50758002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).