3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide

C18H26N2O — CID 115056053

IUPAC3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
SMILESNC1(Cc2cccc(CCC(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C18H26N2O/c19-18(10-11-18)13-15-5-3-4-14(12-15)8-9-17(21)20-16-6-1-2-7-16/h3-5,12,16H,1-2,6-11,13,19H2,(H,20,21)
InChIKeySOLWEUHPFWCFIH-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.71
Rot. Bonds6

About 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide (PubChem CID 115056053) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
PubChem CID115056053
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
SMILESNC1(Cc2cccc(CCC(=O)NC3CCCC3)c2)CC1
InChIInChI=1S/C18H26N2O/c19-18(10-11-18)13-15-5-3-4-14(12-15)8-9-17(21)20-16-6-1-2-7-16/h3-5,12,16H,1-2,6-11,13,19H2,(H,20,21)
InChIKeySOLWEUHPFWCFIH-UHFFFAOYSA-N
XLogP2.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
CID 115056058
1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 115056079
3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
CID 115055960
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
CID 115055868
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
3-(3-aminophenyl)-N-[(1S,2S)-2-hydroxycyclohexyl]propanamide
CID 107211275

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide?
The IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide (CID 115056053) is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide.
What is the SMILES notation for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide?
The canonical SMILES for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide is NC1(Cc2cccc(CCC(=O)NC3CCCC3)c2)CC1.
What is the InChIKey of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide?
The InChIKey is SOLWEUHPFWCFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c19-18(10-11-18)13-15-5-3-4-14(12-15)8-9-17(21)20-16-6-1-2-7-16/h3-5,12,16H,1-2,6-11,13,19H2,(H,20,21).
What are the key properties of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide?
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide is sourced from PubChem (CID 115056053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).