1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide

C17H24N2O2 — CID 109135020

IUPAC1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-2-3-7-10-18-16(20)14-11-15(14)17(21)19-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyQLEKJHSSYHDHAO-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.25
Rot. Bonds8

About 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide (PubChem CID 109135020) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
PubChem CID109135020
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)NCc1ccccc1
InChIInChI=1S/C17H24N2O2/c1-2-3-7-10-18-16(20)14-11-15(14)17(21)19-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3,(H,18,20)(H,19,21)
InChIKeyQLEKJHSSYHDHAO-UHFFFAOYSA-N
XLogP2.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-benzyl-2-N-pentylcyclopropane-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

cis-(1R,2R)-N-benzyl-2-octylcyclopropane-1-carboxamide
CID 98220206
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
1-N-(furan-2-ylmethyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109134849
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241
ethyl 2-(benzylcarbamoyl)cyclopropane-1-carboxylate
CID 102105176
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
2-N-benzyl-1-N-(2-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135043
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
2-N-butyl-1-N-(1-phenylethyl)cyclopropane-1,2-dicarboxamide
CID 109131234
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide (CID 109135020) is 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide is CCCCCNC(=O)C1CC1C(=O)NCc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide?
The InChIKey is QLEKJHSSYHDHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-2-3-7-10-18-16(20)14-11-15(14)17(21)19-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,2-3,7,10-12H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).