2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide

C16H24N2O2 — CID 106591529

IUPAC2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCCC1O)c1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-11(12-6-4-7-14(17)9-12)16(20)18-10-13-5-2-3-8-15(13)19/h4,6-7,9,11,13,15,19H,2-3,5,8,10,17H2,1H3,(H,18,20)
InChIKeyOZHIQFRYNCOSQD-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.04
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide

2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide (PubChem CID 106591529) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
PubChem CID106591529
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
SMILESCC(C(=O)NCC1CCCCC1O)c1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-11(12-6-4-7-14(17)9-12)16(20)18-10-13-5-2-3-8-15(13)19/h4,6-7,9,11,13,15,19H,2-3,5,8,10,17H2,1H3,(H,18,20)
InChIKeyOZHIQFRYNCOSQD-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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

(2S)-N-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-2-phenylpropanamide
CID 129445920
2-(3-aminophenyl)-N-(3-cyclopentylpropyl)propanamide
CID 106006314
2-(3-aminophenyl)-N-(2-cyclopentyloxyethyl)propanamide
CID 106591466
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
2-(3-aminophenyl)-N-[(1,1-dioxothiolan-3-yl)methyl]propanamide
CID 106591175
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
2-(3-aminophenyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]propanamide
CID 106591402
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
(2S)-N-[(2-hydroxycyclopentyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 111471262
(2R)-2-amino-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 79001441
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide (CID 106591529) is 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide is CC(C(=O)NCC1CCCCC1O)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is OZHIQFRYNCOSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(12-6-4-7-14(17)9-12)16(20)18-10-13-5-2-3-8-15(13)19/h4,6-7,9,11,13,15,19H,2-3,5,8,10,17H2,1H3,(H,18,20).
What are the key properties of 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide?
2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 106591529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).