4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide

C22H35NO — CID 123659272

IUPAC4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide
SMILESCCCCCCCC1CC1CCCC(=O)NCCc1ccccc1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-9-13-20-18-21(20)14-10-15-22(24)23-17-16-19-11-7-6-8-12-19/h6-8,11-12,20-21H,2-5,9-10,13-18H2,1H3,(H,23,24)
InChIKeyBIVCNYSBAFSDCG-UHFFFAOYSA-N
MW329.53 g/mol
LogP5.51
Rot. Bonds13

About 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide

4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide (PubChem CID 123659272) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide
PubChem CID123659272
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide
SMILESCCCCCCCC1CC1CCCC(=O)NCCc1ccccc1
InChIInChI=1S/C22H35NO/c1-2-3-4-5-9-13-20-18-21(20)14-10-15-22(24)23-17-16-19-11-7-6-8-12-19/h6-8,11-12,20-21H,2-5,9-10,13-18H2,1H3,(H,23,24)
InChIKeyBIVCNYSBAFSDCG-UHFFFAOYSA-N
XLogP5.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide 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

(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
CID 162516977
4-phenyl-N-(2-phenylethyl)butanamide;propane
CID 143447835
3-(pentylamino)-N-(2-phenylethyl)propanamide
CID 109024121
N-(4-phenylbutyl)hexanamide
CID 4985988
5-oxo-N-(2-phenylethyl)octanamide
CID 90063979
N-(2-phenylethylcarbamothioyl)heptanamide
CID 54789032
N-(2-phenylethyl)butanamide;sulfuryl dichloride
CID 163813551
N-[2-(3-phenylpropanoylamino)ethyl]butanamide
CID 108573772
methyl 8-oxo-8-(2-phenylethylamino)octanoate
CID 42600200
N-(2-pyridin-4-ylethyl)tetradecanamide
CID 101347310
N-[2-(4-aminophenyl)ethyl]decanamide
CID 22980985
N-[2-(4-hydroxyphenyl)ethyl]-8-(3-octyl-1-tritylaziridin-2-yl)octanamide
CID 176828216

Frequently Asked Questions

What is the IUPAC name of 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide (CID 123659272) is 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide is CCCCCCCC1CC1CCCC(=O)NCCc1ccccc1.
What is the InChIKey of 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide?
The InChIKey is BIVCNYSBAFSDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-2-3-4-5-9-13-20-18-21(20)14-10-15-22(24)23-17-16-19-11-7-6-8-12-19/h6-8,11-12,20-21H,2-5,9-10,13-18H2,1H3,(H,23,24).
What are the key properties of 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide?
4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide has a molecular weight of 329.53 g/mol, XLogP of 5.51, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-heptylcyclopropyl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 123659272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).