1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide

C22H26N2O4 — CID 108979218

IUPAC1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCCCc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-27-17-10-11-18(19(15-17)28-2)24-21(26)22(12-13-22)20(25)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQNLRBKGYKKUGAH-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.17
Rot. Bonds9

About 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide

1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108979218) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
PubChem CID108979218
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide
SMILESCOc1ccc(NC(=O)C2(C(=O)NCCCc3ccccc3)CC2)c(OC)c1
InChIInChI=1S/C22H26N2O4/c1-27-17-10-11-18(19(15-17)28-2)24-21(26)22(12-13-22)20(25)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyQNLRBKGYKKUGAH-UHFFFAOYSA-N
XLogP3.17
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-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

1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(2,4-dimethoxyphenyl)-1-N-[(2-methoxyphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976242
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
1-N'-(2-methoxyphenyl)-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979794
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169
1-N-[3-(dimethylamino)propyl]-1-N'-(2-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108973832
N-[3-[4-(azepan-1-yl)phenyl]propyl]-N'-(2,4-dimethoxyphenyl)oxamide
CID 16891910
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684

Frequently Asked Questions

What is the IUPAC name of 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide (CID 108979218) is 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide is COc1ccc(NC(=O)C2(C(=O)NCCCc3ccccc3)CC2)c(OC)c1.
What is the InChIKey of 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is QNLRBKGYKKUGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-27-17-10-11-18(19(15-17)28-2)24-21(26)22(12-13-22)20(25)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,15H,6,9,12-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide?
1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(2,4-dimethoxyphenyl)-1-N-(3-phenylpropyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).