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

C15H21N3O2 — CID 63892702

IUPAC4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1C(=O)CCCc2cc(N)ccc21
InChIInChI=1S/C15H21N3O2/c1-17-14(19)5-3-9-18-13-8-7-12(16)10-11(13)4-2-6-15(18)20/h7-8,10H,2-6,9,16H2,1H3,(H,17,19)
InChIKeyZAZFTHXVPHCIDI-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.46
Rot. Bonds4

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

4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide (PubChem CID 63892702) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
PubChem CID63892702
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide
SMILESCNC(=O)CCCN1C(=O)CCCc2cc(N)ccc21
InChIInChI=1S/C15H21N3O2/c1-17-14(19)5-3-9-18-13-8-7-12(16)10-11(13)4-2-6-15(18)20/h7-8,10H,2-6,9,16H2,1H3,(H,17,19)
InChIKeyZAZFTHXVPHCIDI-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(5-amino-2-oxo-3H-indol-1-yl)-N-methylbutanamide
CID 63892495
1-[4-(methylamino)-4-oxobutyl]-2-oxo-3,4-dihydroquinoline-6-carboxylic acid
CID 102711326
4-(5-amino-2,3-dihydroindol-1-yl)-N-methylbutanamide
CID 63892508
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-ethylacetamide
CID 43446649
2-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-butylacetamide
CID 61485959
5-amino-1-(4-oxopentyl)-3H-indol-2-one
CID 115236208
7-amino-1-(3-imidazol-1-ylpropyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 61494690
7-amino-1-[2-(trifluoromethylsulfanyl)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 116615836
6-amino-1-[3-(dimethylamino)propyl]-3,4-dihydroquinolin-2-one
CID 53392260
7-amino-1-[2-(3-methylbutoxy)ethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61483473
5-amino-1-nonyl-3H-indol-2-one
CID 43446434
5-amino-1-decyl-3H-indol-2-one
CID 62221874

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide?
The IUPAC name of 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide (CID 63892702) is 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide.
What is the SMILES notation for 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide?
The canonical SMILES for 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide is CNC(=O)CCCN1C(=O)CCCc2cc(N)ccc21.
What is the InChIKey of 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide?
The InChIKey is ZAZFTHXVPHCIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17-14(19)5-3-9-18-13-8-7-12(16)10-11(13)4-2-6-15(18)20/h7-8,10H,2-6,9,16H2,1H3,(H,17,19).
What are the key properties of 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide?
4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide has a molecular weight of 275.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)-N-methylbutanamide is sourced from PubChem (CID 63892702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).