1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide

C18H26N2O2 — CID 109140027

IUPAC1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C18H26N2O2/c1-3-5-6-11-19-17(21)15-12-16(15)18(22)20-14-9-7-13(4-2)8-10-14/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIRDREBWLXXBQSQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.13
Rot. Bonds8

About 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide

1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide (PubChem CID 109140027) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
PubChem CID109140027
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
SMILESCCCCCNC(=O)C1CC1C(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C18H26N2O2/c1-3-5-6-11-19-17(21)15-12-16(15)18(22)20-14-9-7-13(4-2)8-10-14/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyIRDREBWLXXBQSQ-UHFFFAOYSA-N
XLogP3.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(4-ethylphenyl)-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

2-N-butyl-1-N-(4-fluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109131322
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138589
1-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133886
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
1-N-benzyl-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109135020
N-(4-ethylphenyl)-2,2-dimethyl-N'-pentylpropanediamide
CID 108966385
1-dodecyl-3-(4-ethylphenyl)thiourea
CID 19651364
2-N-(3-methoxypropyl)-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133163
1-N-(2-methoxyphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140052
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109136687
2-N-butyl-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109131383

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide (CID 109140027) is 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide is CCCCCNC(=O)C1CC1C(=O)Nc1ccc(CC)cc1.
What is the InChIKey of 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
The InChIKey is IRDREBWLXXBQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-5-6-11-19-17(21)15-12-16(15)18(22)20-14-9-7-13(4-2)8-10-14/h7-10,15-16H,3-6,11-12H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide?
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide has a molecular weight of 302.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109140027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).