3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide

C18H26N2O — CID 115055777

IUPAC3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
SMILESCC(Cc1cccc(C2(N)CC2)c1)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O/c1-13(17(21)20-16-7-2-3-8-16)11-14-5-4-6-15(12-14)18(19)9-10-18/h4-6,12-13,16H,2-3,7-11,19H2,1H3,(H,20,21)
InChIKeyGCZQEWMZZLIVCK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.87
Rot. Bonds5

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

3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide (PubChem CID 115055777) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide.

Molecular Properties

Compound Name3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
PubChem CID115055777
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide
SMILESCC(Cc1cccc(C2(N)CC2)c1)C(=O)NC1CCCC1
InChIInChI=1S/C18H26N2O/c1-13(17(21)20-16-7-2-3-8-16)11-14-5-4-6-15(12-14)18(19)9-10-18/h4-6,12-13,16H,2-3,7-11,19H2,1H3,(H,20,21)
InChIKeyGCZQEWMZZLIVCK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(1-aminocyclopropyl)phenyl]-N-cyclopentylpropanamide
CID 115055999
4,4-dimethyl-1-[3-(2-methylpropyl)phenyl]cyclohexan-1-amine
CID 116543004
1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 115056079
(2S)-3-(1,3-benzodioxol-5-yl)-N-cyclohexyl-2-methylpropanamide
CID 166443374
2-methyl-N-piperidin-4-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 119386828
2-[3-(aminomethyl)phenyl]sulfanyl-N-cyclopentylpropanamide
CID 66354315
3-[4-(1-aminocyclopropyl)phenyl]-N-ethyl-2-methylpropanamide
CID 115055951
3-(3-fluorophenyl)-2-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119452340
2-(aminomethyl)-N-cyclopropyl-3-[3-(difluoromethyl)phenyl]propanamide
CID 113328886
(3S)-3-[[(2R)-3-(3-chlorophenyl)-2-methylpropanoyl]amino]pyrrolidine-1-carboxamide
CID 97243727
3-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]-2-methylpropanoic acid
CID 115112846
4-propan-2-yl-1-(3-propylphenyl)cyclohexan-1-amine
CID 116542991

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide?
The IUPAC name of 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide (CID 115055777) is 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide.
What is the SMILES notation for 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide?
The canonical SMILES for 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide is CC(Cc1cccc(C2(N)CC2)c1)C(=O)NC1CCCC1.
What is the InChIKey of 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide?
The InChIKey is GCZQEWMZZLIVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13(17(21)20-16-7-2-3-8-16)11-14-5-4-6-15(12-14)18(19)9-10-18/h4-6,12-13,16H,2-3,7-11,19H2,1H3,(H,20,21).
What are the key properties of 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide?
3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopropyl)phenyl]-N-cyclopentyl-2-methylpropanamide is sourced from PubChem (CID 115055777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).