2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide

C16H23N3O2 — CID 61485959

IUPAC2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1C(=O)CCCc2cc(N)ccc21
InChIInChI=1S/C16H23N3O2/c1-2-3-9-18-15(20)11-19-14-8-7-13(17)10-12(14)5-4-6-16(19)21/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,20)
InChIKeyDLKXGYYRLLUDDS-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds5

About 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide

2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide (PubChem CID 61485959) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide.

Molecular Properties

Compound Name2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
PubChem CID61485959
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
SMILESCCCCNC(=O)CN1C(=O)CCCc2cc(N)ccc21
InChIInChI=1S/C16H23N3O2/c1-2-3-9-18-15(20)11-19-14-8-7-13(17)10-12(14)5-4-6-16(19)21/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,20)
InChIKeyDLKXGYYRLLUDDS-UHFFFAOYSA-N
XLogP1.85
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide
CID 43446649
4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
CID 63892702
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-butan-2-ylacetamide
CID 43446594
6-amino-N-butyl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 28785717
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-(cyclopropylmethyl)acetamide
CID 43446555
2-(5-amino-2-oxo-3H-indol-1-yl)-N-(cyanomethyl)acetamide
CID 43382542
2-(5-bromo-2-oxo-3H-indol-1-yl)-N-butylacetamide
CID 95922016
2-[7-(4-methylpiperidin-1-yl)sulfonyl-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]-N-propylacetamide
CID 53122441
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831133
1-hexyl-7-iodo-4,5-dihydro-3H-1-benzazepin-2-one
CID 79787898
N-[3-(2-fluorophenyl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)acetamide
CID 100831161
2-(6-amino-2-oxo-3,4-dihydroquinolin-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 61488262

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide?
The IUPAC name of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide (CID 61485959) is 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide.
What is the SMILES notation for 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide?
The canonical SMILES for 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide is CCCCNC(=O)CN1C(=O)CCCc2cc(N)ccc21.
What is the InChIKey of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide?
The InChIKey is DLKXGYYRLLUDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-2-3-9-18-15(20)11-19-14-8-7-13(17)10-12(14)5-4-6-16(19)21/h7-8,10H,2-6,9,11,17H2,1H3,(H,18,20).
What are the key properties of 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide?
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide has a molecular weight of 289.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide is sourced from PubChem (CID 61485959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).