N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide

C20H28N2O2 — CID 21108450

IUPACN-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCNCC2)NC1CCCCC1
InChIInChI=1S/C20H28N2O2/c23-19(8-9-20(24)22-18-4-2-1-3-5-18)17-7-6-15-10-12-21-13-11-16(15)14-17/h6-7,14,18,21H,1-5,8-13H2,(H,22,24)
InChIKeyNUYMXZIZYZTSIY-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.79
Rot. Bonds5

About N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide

N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide (PubChem CID 21108450) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
PubChem CID21108450
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
SMILESO=C(CCC(=O)c1ccc2c(c1)CCNCC2)NC1CCCCC1
InChIInChI=1S/C20H28N2O2/c23-19(8-9-20(24)22-18-4-2-1-3-5-18)17-7-6-15-10-12-21-13-11-16(15)14-17/h6-7,14,18,21H,1-5,8-13H2,(H,22,24)
InChIKeyNUYMXZIZYZTSIY-UHFFFAOYSA-N
XLogP2.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-N-piperidin-4-yl-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide;hydrochloride
CID 119390143
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 119455927
N-(1-benzylpyrrolidin-3-yl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108392
N-(cyclohexylmethyl)-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide;2,2,2-trifluoroacetic acid
CID 21108451
N-cyclopentyl-4-oxo-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide
CID 110344793
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308
4-oxo-N-(oxolan-2-ylmethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108323
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
4-oxo-N-(2-pyrrolidin-1-ylethyl)-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide
CID 21108350
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(2,3-dihydro-1H-inden-5-yl)-4-oxobutanamide
CID 25486470
N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide?
The IUPAC name of N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide (CID 21108450) is N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide.
What is the SMILES notation for N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide?
The canonical SMILES for N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide is O=C(CCC(=O)c1ccc2c(c1)CCNCC2)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide?
The InChIKey is NUYMXZIZYZTSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(8-9-20(24)22-18-4-2-1-3-5-18)17-7-6-15-10-12-21-13-11-16(15)14-17/h6-7,14,18,21H,1-5,8-13H2,(H,22,24).
What are the key properties of N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide?
N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide has a molecular weight of 328.46 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-oxo-4-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butanamide is sourced from PubChem (CID 21108450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).