4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide

C16H24N2O2 — CID 107222076

IUPAC4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
SMILESNC(CCC(=O)N[C@@H]1CCCC[C@H]1O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c17-13(12-6-2-1-3-7-12)10-11-16(20)18-14-8-4-5-9-15(14)19/h1-3,6-7,13-15,19H,4-5,8-11,17H2,(H,18,20)/t13?,14-,15-/m1/s1
InChIKeyGQRUYKQBUIRTPY-JVIGXAJISA-N
MW276.38 g/mol
LogP1.89
Rot. Bonds5

About 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide

4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide (PubChem CID 107222076) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide.

Molecular Properties

Compound Name4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
PubChem CID107222076
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
SMILESNC(CCC(=O)N[C@@H]1CCCC[C@H]1O)c1ccccc1
InChIInChI=1S/C16H24N2O2/c17-13(12-6-2-1-3-7-12)10-11-16(20)18-14-8-4-5-9-15(14)19/h1-3,6-7,13-15,19H,4-5,8-11,17H2,(H,18,20)/t13?,14-,15-/m1/s1
InChIKeyGQRUYKQBUIRTPY-JVIGXAJISA-N
XLogP1.89
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N-(2-cyanocyclopentyl)-4-phenylbutanamide
CID 63323965
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
4-amino-N-(oxan-3-yl)-4-phenylbutanamide
CID 63363689
4-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-phenylbutanamide
CID 79377333
4-amino-N-(3-hydroxy-2,2-dimethylcyclobutyl)-4-phenylbutanamide
CID 114629642
4-amino-N-(1-methylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324217
2-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 64816023
3-(2-fluorophenyl)sulfanyl-N-(2-hydroxycyclohexyl)propanamide
CID 62358670
3-(2-fluorophenyl)sulfanyl-N-[(1R,2R)-2-hydroxycyclohexyl]propanamide
CID 104927361
4-amino-N-(1-cyclopropylpyrrolidin-3-yl)-4-phenylbutanamide
CID 63324219
4-amino-N-cyclopropylsulfonyl-4-phenylbutanamide
CID 103308412
N-[(1R,2S)-2-hydroxycyclohexyl]-N'-[(1S,2R)-2-hydroxycyclohexyl]hexanediamide
CID 40600214

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide?
The IUPAC name of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide (CID 107222076) is 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide.
What is the SMILES notation for 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide?
The canonical SMILES for 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide is NC(CCC(=O)N[C@@H]1CCCC[C@H]1O)c1ccccc1.
What is the InChIKey of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide?
The InChIKey is GQRUYKQBUIRTPY-JVIGXAJISA-N. The full InChI is InChI=1S/C16H24N2O2/c17-13(12-6-2-1-3-7-12)10-11-16(20)18-14-8-4-5-9-15(14)19/h1-3,6-7,13-15,19H,4-5,8-11,17H2,(H,18,20)/t13?,14-,15-/m1/s1.
What are the key properties of 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide?
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide has a molecular weight of 276.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide is sourced from PubChem (CID 107222076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).