2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide

C17H24N2O2 — CID 109131234

IUPAC2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-4-10-18-16(20)14-11-15(14)17(21)19-12(2)13-8-6-5-7-9-13/h5-9,12,14-15H,3-4,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPUKSEHVMSQDFIB-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.42
Rot. Bonds7

About 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide

2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109131234) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109131234
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
SMILESCCCCNC(=O)C1CC1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C17H24N2O2/c1-3-4-10-18-16(20)14-11-15(14)17(21)19-12(2)13-8-6-5-7-9-13/h5-9,12,14-15H,3-4,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyPUKSEHVMSQDFIB-UHFFFAOYSA-N
XLogP2.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide 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

Melinamide
CID 20054967
N-(Phenylmethyl)hexadecanamide
CID 11198769
N-Benzyloleamide
CID 49865534
N-Benzyl-(9Z,12Z,15Z)-octadecatrienamide
CID 68741582
N-Benzyl-linoleamide
CID 68742556
Cypromin
CID 90993
Smac peptido-mimetic 1
CID 11200722
N-benzyl-5-oxopyrrolidine-2-carboxamide
CID 3519775
N~2~-(cyclohexylcarbonyl)-N-(1-phenylethyl)leucinamide
CID 16003816
1-cyclopentyl-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 16307848
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
CID 101733925
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
CID 162516979

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide (CID 109131234) is 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is CCCCNC(=O)C1CC1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is PUKSEHVMSQDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-4-10-18-16(20)14-11-15(14)17(21)19-12(2)13-8-6-5-7-9-13/h5-9,12,14-15H,3-4,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide?
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109131234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).