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

C15H22N2O2 — CID 107211275

IUPAC3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESNc1cccc(CCC(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H22N2O2/c16-12-5-3-4-11(10-12)8-9-15(19)17-13-6-1-2-7-14(13)18/h3-5,10,13-14,18H,1-2,6-9,16H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyDPPYPLDXXSZKCD-KBPBESRZSA-N
MW262.35 g/mol
LogP1.62
Rot. Bonds4

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

3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (PubChem CID 107211275) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
PubChem CID107211275
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
SMILESNc1cccc(CCC(=O)N[C@H]2CCCC[C@@H]2O)c1
InChIInChI=1S/C15H22N2O2/c16-12-5-3-4-11(10-12)8-9-15(19)17-13-6-1-2-7-14(13)18/h3-5,10,13-14,18H,1-2,6-9,16H2,(H,17,19)/t13-,14-/m0/s1
InChIKeyDPPYPLDXXSZKCD-KBPBESRZSA-N
XLogP1.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.62
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-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
CID 43309134
3-(3-aminophenyl)-N-[(2-hydroxycyclohexyl)methyl]propanamide
CID 80701579
3-(3-aminophenyl)-N-(2-methyloxolan-3-yl)propanamide
CID 82725114
3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80715748
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
3-(4-ethylphenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104957177
N-[(1S,2S)-2-hydroxycyclohexyl]-3-pyridin-4-ylpropanamide
CID 104957512
3-(1,3-benzodioxol-5-yl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 104956680
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950
3-amino-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 107211397
3-(3-aminophenyl)-N-(1-cyclopropylpiperidin-4-yl)propanamide
CID 115341222

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide (CID 107211275) is 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is Nc1cccc(CCC(=O)N[C@H]2CCCC[C@@H]2O)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
The InChIKey is DPPYPLDXXSZKCD-KBPBESRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-12-5-3-4-11(10-12)8-9-15(19)17-13-6-1-2-7-14(13)18/h3-5,10,13-14,18H,1-2,6-9,16H2,(H,17,19)/t13-,14-/m0/s1.
What are the key properties of 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide?
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide is sourced from PubChem (CID 107211275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).