N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide

C22H26N2O2 — CID 119477041

IUPACN-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESNC1CCC(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c23-19-10-12-20(13-11-19)24-22(26)15-14-21(25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20H,10-15,23H2,(H,24,26)
InChIKeyHVTVKFCAAFOPBZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.70
Rot. Bonds6

About N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide

N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide (PubChem CID 119477041) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
PubChem CID119477041
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide
SMILESNC1CCC(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c23-19-10-12-20(13-11-19)24-22(26)15-14-21(25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20H,10-15,23H2,(H,24,26)
InChIKeyHVTVKFCAAFOPBZ-UHFFFAOYSA-N
XLogP3.70
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 112804103
(2R)-2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
CID 99625983
2-cyano-N-cyclopropyl-3,6-dioxo-6-(4-phenylphenyl)hexanamide
CID 91641621
N-(4-aminocyclohexyl)-3-(2-phenylphenoxy)propanamide;hydrochloride
CID 119477516
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
CID 26711840
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-methoxy-4-oxo-4-(4-phenylphenyl)butanamide
CID 71943599
N-(4-aminocyclohexyl)-3-phenylmethoxypropanamide;hydrochloride
CID 119475599
1-[(3R)-3-aminopyrrolidin-1-yl]-4-(4-phenylphenyl)butane-1,4-dione
CID 119411621
2-[(4-aminocyclohexyl)amino]-1-phenylethanone
CID 54572830
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-cyclopropyl-N'-phenylbutanediamide
CID 70314355

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The IUPAC name of N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide (CID 119477041) is N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide is NC1CCC(NC(=O)CCC(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide?
The InChIKey is HVTVKFCAAFOPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c23-19-10-12-20(13-11-19)24-22(26)15-14-21(25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19-20H,10-15,23H2,(H,24,26).
What are the key properties of N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide?
N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide has a molecular weight of 350.46 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-oxo-4-(4-phenylphenyl)butanamide is sourced from PubChem (CID 119477041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).