(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide

C18H24N2O2 — CID 92886787

IUPAC(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C18H24N2O2/c1-13(18(22)19-15-9-3-4-10-15)20-16-11-5-2-7-14(16)8-6-12-17(20)21/h2,5,7,11,13,15H,3-4,6,8-10,12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyURBSXANVEKXBGH-ZDUSSCGKSA-N
MW300.40 g/mol
LogP2.80
Rot. Bonds3

About (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide

(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide (PubChem CID 92886787) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
PubChem CID92886787
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
SMILESC[C@@H](C(=O)NC1CCCC1)N1C(=O)CCCc2ccccc21
InChIInChI=1S/C18H24N2O2/c1-13(18(22)19-15-9-3-4-10-15)20-16-11-5-2-7-14(16)8-6-12-17(20)21/h2,5,7,11,13,15H,3-4,6,8-10,12H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyURBSXANVEKXBGH-ZDUSSCGKSA-N
XLogP2.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[3-(cyclopropylamino)-3-oxopropyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831171
(2R)-N-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 92886794
(2S)-N-(6-methyl-2-pyridinyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831115
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831102
(2R)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831135
(2S)-N-(furan-2-ylmethyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 100831120
1-[1-(azepan-1-yl)-1-oxopropan-2-yl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 46276085
N-cyclohexyl-2-(2,2-dimethyl-4-oxo-3H-1,5-benzothiazepin-5-yl)propanamide
CID 122176139
N-[(3-fluorophenyl)methyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 50758149
N-(3-oxo-4H-1,4-benzoxazin-7-yl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 110211044
N-[3-(3-fluorophenyl)propyl]-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide
CID 110211041
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 (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide (CID 92886787) is (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide is C[C@@H](C(=O)NC1CCCC1)N1C(=O)CCCc2ccccc21.
What is the InChIKey of (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
The InChIKey is URBSXANVEKXBGH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13(18(22)19-15-9-3-4-10-15)20-16-11-5-2-7-14(16)8-6-12-17(20)21/h2,5,7,11,13,15H,3-4,6,8-10,12H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide?
(2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide has a molecular weight of 300.40 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)propanamide is sourced from PubChem (CID 92886787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).