3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide

C19H28N2O — CID 115055960

IUPAC3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
SMILESNC1(c2ccc(CCC(=O)NC3CCCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O/c20-19(13-14-19)16-10-7-15(8-11-16)9-12-18(22)21-17-5-3-1-2-4-6-17/h7-8,10-11,17H,1-6,9,12-14,20H2,(H,21,22)
InChIKeyBUFOZOIMNSGVFV-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.41
Rot. Bonds5

About 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide

3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide (PubChem CID 115055960) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
PubChem CID115055960
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide
SMILESNC1(c2ccc(CCC(=O)NC3CCCCCC3)cc2)CC1
InChIInChI=1S/C19H28N2O/c20-19(13-14-19)16-10-7-15(8-11-16)9-12-18(22)21-17-5-3-1-2-4-6-17/h7-8,10-11,17H,1-6,9,12-14,20H2,(H,21,22)
InChIKeyBUFOZOIMNSGVFV-UHFFFAOYSA-N
XLogP3.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(1-aminocyclopropyl)phenyl]-N-cyclohexylpropanamide
CID 115055868
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclohexylpropanamide
CID 115056055
3-[3-[(1-aminocyclopropyl)methyl]phenyl]-N-cyclopentylpropanamide
CID 115056053
N-cyclopentyl-3-(4-propan-2-ylphenyl)propanamide
CID 19221387
N-cyclooctyl-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 51180741
2-[4-(1-aminocyclopropyl)phenyl]-N-cyclopentylpropanamide
CID 115055999
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
2-[4-(aminomethyl)phenyl]-N-cyclooctylacetamide
CID 63588883
N-cyclooctyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanamide
CID 86944075
N-cycloheptyl-3-(3,4-diethoxyphenyl)propanamide
CID 99949717
N-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
CID 115105014
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide?
The IUPAC name of 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide (CID 115055960) is 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide is NC1(c2ccc(CCC(=O)NC3CCCCCC3)cc2)CC1.
What is the InChIKey of 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide?
The InChIKey is BUFOZOIMNSGVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c20-19(13-14-19)16-10-7-15(8-11-16)9-12-18(22)21-17-5-3-1-2-4-6-17/h7-8,10-11,17H,1-6,9,12-14,20H2,(H,21,22).
What are the key properties of 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide?
3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide has a molecular weight of 300.45 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-aminocyclopropyl)phenyl]-N-cycloheptylpropanamide is sourced from PubChem (CID 115055960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).