2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide

C21H24N2O2 — CID 60550929

IUPAC2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
SMILESO=C(NCCCc1ccccc1)C(=O)N1CCCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-20(22-15-8-11-17-9-2-1-3-10-17)21(25)23-16-7-6-13-18-12-4-5-14-19(18)23/h1-5,9-10,12,14H,6-8,11,13,15-16H2,(H,22,24)
InChIKeyWUQCLZKTIVNGAV-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.10
Rot. Bonds4

About 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide

2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide (PubChem CID 60550929) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
PubChem CID60550929
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide
SMILESO=C(NCCCc1ccccc1)C(=O)N1CCCCc2ccccc21
InChIInChI=1S/C21H24N2O2/c24-20(22-15-8-11-17-9-2-1-3-10-17)21(25)23-16-7-6-13-18-12-4-5-14-19(18)23/h1-5,9-10,12,14H,6-8,11,13,15-16H2,(H,22,24)
InChIKeyWUQCLZKTIVNGAV-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-phenylpropyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224185
N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 108990483
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)benzamide
CID 109048489
N-benzyl-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 108508973
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-fluorophenyl)ethyl]-2-oxoacetamide
CID 108985214
2-(2,3-dihydroindol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108507503
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-oxoacetamide
CID 108985370
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109089033
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(2-phenylethylamino)ethanone
CID 3191782
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
1-[2-(2,3-dihydroindol-1-yl)propyl]-3-(3-phenylpropyl)urea
CID 112820237

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
The IUPAC name of 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide (CID 60550929) is 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide.
What is the SMILES notation for 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
The canonical SMILES for 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide is O=C(NCCCc1ccccc1)C(=O)N1CCCCc2ccccc21.
What is the InChIKey of 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
The InChIKey is WUQCLZKTIVNGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c24-20(22-15-8-11-17-9-2-1-3-10-17)21(25)23-16-7-6-13-18-12-4-5-14-19(18)23/h1-5,9-10,12,14H,6-8,11,13,15-16H2,(H,22,24).
What are the key properties of 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide?
2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide has a molecular weight of 336.44 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(3-phenylpropyl)-2-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)acetamide is sourced from PubChem (CID 60550929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).