N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide

C13H18N2O — CID 82359770

IUPACN-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
SMILESCCC(N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-12(14)9-5-7-11(8-6-9)15-13(16)10-3-4-10/h5-8,10,12H,2-4,14H2,1H3,(H,15,16)
InChIKeyBQGJTHORQGXCDK-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.44
Rot. Bonds4

About N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide

N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide (PubChem CID 82359770) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
PubChem CID82359770
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide
SMILESCCC(N)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C13H18N2O/c1-2-12(14)9-5-7-11(8-6-9)15-13(16)10-3-4-10/h5-8,10,12H,2-4,14H2,1H3,(H,15,16)
InChIKeyBQGJTHORQGXCDK-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N-(4-propan-2-ylphenyl)cyclopropanecarboxamide
CID 143709659
N-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252836
N-[4-[[2-amino-2-(4-methylphenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 120666920
N-[4-[[[(2S)-2-aminobutanoyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 79023059
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642
N-[4-(2-bromobutyl)phenyl]cyclopropanecarboxamide
CID 82254939
N-[4-[(2-amino-3,3-dimethylbutanoyl)amino]phenyl]cyclopropanecarboxamide
CID 76896604
1-N-(2-methylpropyl)-4-N-(4-propan-2-ylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145314
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
N-[4-(heptan-3-ylamino)phenyl]cyclopropanecarboxamide
CID 63946276
N-[4-(3-methylbutanoylamino)phenyl]cyclopropanecarboxamide
CID 17193989

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide (CID 82359770) is N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide is CCC(N)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide?
The InChIKey is BQGJTHORQGXCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12(14)9-5-7-11(8-6-9)15-13(16)10-3-4-10/h5-8,10,12H,2-4,14H2,1H3,(H,15,16).
What are the key properties of N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide?
N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide has a molecular weight of 218.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminopropyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 82359770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).