N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

C19H28N2O2 — CID 50758151

IUPACN-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
SMILESCCCCN(C)C(=O)C(CC)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-4-6-14-20(3)19(23)16(5-2)21-17-12-8-7-10-15(17)11-9-13-18(21)22/h7-8,10,12,16H,4-6,9,11,13-14H2,1-3H3
InChIKeyGAWNERYXGYLZLX-UHFFFAOYSA-N
MW316.45 g/mol
LogP3.39
Rot. Bonds6

About N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide

N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide (PubChem CID 50758151) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
PubChem CID50758151
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC NameN-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
SMILESCCCCN(C)C(=O)C(CC)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C19H28N2O2/c1-4-6-14-20(3)19(23)16(5-2)21-17-12-8-7-10-15(17)11-9-13-18(21)22/h7-8,10,12,16H,4-6,9,11,13-14H2,1-3H3
InChIKeyGAWNERYXGYLZLX-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(azepan-1-yl)-1-oxobutan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276095
1-(1-oxo-1-piperidin-1-ylbutan-2-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758044
(2S)-N-benzyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742614
(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92886750
N-[(2-chlorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 50758024
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92864267
N-butyl-2-(3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 109006191
1-(1-aminopentan-3-yl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 43329359
(2S)-N-[(3-methoxyphenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92742616
N-butyl-6-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylpyridine-2-carboxamide
CID 109099538
N-butyl-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-methylbenzamide
CID 17470307
1-propan-2-yl-4,5-dihydro-3H-1-benzazepin-2-one;1-propan-2-yl-3H-indol-2-one
CID 176690662

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The IUPAC name of N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide (CID 50758151) is N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide.
What is the SMILES notation for N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The canonical SMILES for N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide is CCCCN(C)C(=O)C(CC)N1C(=O)CCCc2ccccc21.
What is the InChIKey of N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
The InChIKey is GAWNERYXGYLZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-4-6-14-20(3)19(23)16(5-2)21-17-12-8-7-10-15(17)11-9-13-18(21)22/h7-8,10,12,16H,4-6,9,11,13-14H2,1-3H3.
What are the key properties of N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide?
N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide has a molecular weight of 316.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide is sourced from PubChem (CID 50758151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).