3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide

C18H26N2O — CID 115055868

IUPAC3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
SMILESNC1(c2ccccc2CCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H26N2O/c19-18(12-13-18)16-9-5-4-6-14(16)10-11-17(21)20-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13,19H2,(H,20,21)
InChIKeyXURGGMGGNVMHDV-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.02
Rot. Bonds5

About 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide

3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide (PubChem CID 115055868) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
PubChem CID115055868
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
SMILESNC1(c2ccccc2CCC(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H26N2O/c19-18(12-13-18)16-9-5-4-6-14(16)10-11-17(21)20-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13,19H2,(H,20,21)
InChIKeyXURGGMGGNVMHDV-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
CID 115055960
methyl 3-[2-(1-aminocyclopropyl)phenyl]propanoate
CID 115031368
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-(4-hydroxycyclohexyl)-3-(2-hydroxyphenyl)propanamide
CID 43394595
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
N-cyclopentyl-2-phenylacetamide;hydrochloride
CID 69292876
N-cyclohexyl-3-(2-ethylanilino)propanamide
CID 109014016
4-[3-(2-aminophenyl)propanoylamino]cyclohexane-1-carboxamide
CID 107272785
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
3-(2-aminophenyl)-N-(2,2-dimethylcyclohexyl)propanamide
CID 79872318

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide (CID 115055868) is 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide is NC1(c2ccccc2CCC(=O)NC2CCCCC2)CC1.
What is the InChIKey of 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide?
The InChIKey is XURGGMGGNVMHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-18(12-13-18)16-9-5-4-6-14(16)10-11-17(21)20-15-7-2-1-3-8-15/h4-6,9,15H,1-3,7-8,10-13,19H2,(H,20,21).
What are the key properties of 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide?
3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide is sourced from PubChem (CID 115055868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).