3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide

C17H26N2O — CID 43309134

IUPAC3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)CCc2cccc(N)c2)C1C
InChIInChI=1S/C17H26N2O/c1-12-5-3-8-16(13(12)2)19-17(20)10-9-14-6-4-7-15(18)11-14/h4,6-7,11-13,16H,3,5,8-10,18H2,1-2H3,(H,19,20)
InChIKeyXBHLFULCSTXOQP-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.14
Rot. Bonds4

About 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide

3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide (PubChem CID 43309134) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
PubChem CID43309134
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide
SMILESCC1CCCC(NC(=O)CCc2cccc(N)c2)C1C
InChIInChI=1S/C17H26N2O/c1-12-5-3-8-16(13(12)2)19-17(20)10-9-14-6-4-7-15(18)11-14/h4,6-7,11-13,16H,3,5,8-10,18H2,1-2H3,(H,19,20)
InChIKeyXBHLFULCSTXOQP-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275
3-(3-aminophenyl)-N-(2-methyloxolan-3-yl)propanamide
CID 82725114
3-(3-aminophenyl)-N-(2,2-dimethylcyclopentyl)propanamide
CID 79872226
N-[2-(aminomethyl)cyclopentyl]-3-(3-methylphenyl)propanamide
CID 62955686
3-(3-aminophenyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80715748
1-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-phenylpropanoylamino)thiourea
CID 11946125
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
3-(3-aminophenyl)-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 43309137
3-(2,3-dimethoxyphenyl)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]propanamide
CID 51723970
N-(2,3-dimethylcyclohexyl)-4-oxo-4-phenylbutanamide
CID 51165973
3-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 98682462
2-(3-aminophenyl)-N-(2-ethylcyclohexyl)acetamide
CID 55083950

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide (CID 43309134) is 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide is CC1CCCC(NC(=O)CCc2cccc(N)c2)C1C.
What is the InChIKey of 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide?
The InChIKey is XBHLFULCSTXOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12-5-3-8-16(13(12)2)19-17(20)10-9-14-6-4-7-15(18)11-14/h4,6-7,11-13,16H,3,5,8-10,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide?
3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide has a molecular weight of 274.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-(2,3-dimethylcyclohexyl)propanamide is sourced from PubChem (CID 43309134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).