3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

C16H24N2O2 — CID 107221628

IUPAC3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESCC(CC(=O)N[C@H]1CCCC[C@@H]1O)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-11(12-6-8-13(17)9-7-12)10-16(20)18-14-4-2-3-5-15(14)19/h6-9,11,14-15,19H,2-5,10,17H2,1H3,(H,18,20)/t11?,14-,15-/m0/s1
InChIKeyGRTOVGWOQSMONU-CNSWMUILSA-N
MW276.38 g/mol
LogP2.18
Rot. Bonds4

About 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide

3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (PubChem CID 107221628) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
PubChem CID107221628
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
SMILESCC(CC(=O)N[C@H]1CCCC[C@@H]1O)c1ccc(N)cc1
InChIInChI=1S/C16H24N2O2/c1-11(12-6-8-13(17)9-7-12)10-16(20)18-14-4-2-3-5-15(14)19/h6-9,11,14-15,19H,2-5,10,17H2,1H3,(H,18,20)/t11?,14-,15-/m0/s1
InChIKeyGRTOVGWOQSMONU-CNSWMUILSA-N
XLogP2.18
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenyl)-1-cyclopentylbutan-1-one
CID 116612653
3-(4-aminophenyl)-N-(1-cyclohexylethyl)butanamide
CID 104502552
3-(4-aminophenyl)-N-[(1R)-1-cyclohexylethyl]butanamide
CID 104502868
3-(4-aminophenyl)-N-(1-cyclopropylpyrrolidin-3-yl)butanamide
CID 104502509
N-[2-(aminomethyl)cyclohexyl]-3-(4-ethylphenyl)butanamide
CID 119609944
5-[[(1S,2S)-2-hydroxycyclohexyl]amino]-3-methyl-5-oxopentanoic acid
CID 107214806
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
N-[2-(aminomethyl)cyclopentyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 119603353
4-amino-N-[(1S,2S)-2-hydroxycyclohexyl]pentanamide
CID 107221714
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
4-amino-N-[(1R,2R)-2-hydroxycyclohexyl]-4-phenylbutanamide
CID 107222076
3-(4-aminophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]butanamide
CID 106026170

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide (CID 107221628) is 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is CC(CC(=O)N[C@H]1CCCC[C@@H]1O)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
The InChIKey is GRTOVGWOQSMONU-CNSWMUILSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(12-6-8-13(17)9-7-12)10-16(20)18-14-4-2-3-5-15(14)19/h6-9,11,14-15,19H,2-5,10,17H2,1H3,(H,18,20)/t11?,14-,15-/m0/s1.
What are the key properties of 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide?
3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide has a molecular weight of 276.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide is sourced from PubChem (CID 107221628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).