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

C19H28N2O — CID 115056055

IUPAC3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
SMILESNC1(Cc2cccc(CCC(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H28N2O/c20-19(11-12-19)14-16-6-4-5-15(13-16)9-10-18(22)21-17-7-2-1-3-8-17/h4-6,13,17H,1-3,7-12,14,20H2,(H,21,22)
InChIKeyKQGYVCXYWKBSGR-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.10
Rot. Bonds6

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

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide (PubChem CID 115056055) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
PubChem CID115056055
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
SMILESNC1(Cc2cccc(CCC(=O)NC3CCCCC3)c2)CC1
InChIInChI=1S/C19H28N2O/c20-19(11-12-19)14-16-6-4-5-15(13-16)9-10-18(22)21-17-7-2-1-3-8-17/h4-6,13,17H,1-3,7-12,14,20H2,(H,21,22)
InChIKeyKQGYVCXYWKBSGR-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-propan-2-ylpropanamide
CID 115056058
3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
CID 115055960
1-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylcyclopropane-1-carboxamide
CID 115056079
3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
CID 115055868
N-(4,4-difluorocyclohexyl)-3-(3-methylphenyl)propanamide
CID 121021894
2-(3-aminophenyl)-N-cyclohexylacetamide
CID 28689689
2-(3-aminophenyl)-N-cycloheptylacetamide
CID 28712073
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide?
The IUPAC name of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide (CID 115056055) is 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide.
What is the SMILES notation for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide?
The canonical SMILES for 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide is NC1(Cc2cccc(CCC(=O)NC3CCCCC3)c2)CC1.
What is the InChIKey of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide?
The InChIKey is KQGYVCXYWKBSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c20-19(11-12-19)14-16-6-4-5-15(13-16)9-10-18(22)21-17-7-2-1-3-8-17/h4-6,13,17H,1-3,7-12,14,20H2,(H,21,22).
What are the key properties of 3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide?
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide has a molecular weight of 300.45 g/mol, XLogP of 3.10, 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-cyclohexylpropanamide is sourced from PubChem (CID 115056055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).