1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

C22H26N2O3 — CID 108977669

IUPAC1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2(C(=O)Nc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-8-18(13-16(15)2)24-21(26)22(10-11-22)20(25)23-12-9-17-5-4-6-19(14-17)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKHNPRCDNNNCDAG-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.39
Rot. Bonds7

About 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide

1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108977669) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
PubChem CID108977669
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Name1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2(C(=O)Nc3ccc(C)c(C)c3)CC2)c1
InChIInChI=1S/C22H26N2O3/c1-15-7-8-18(13-16(15)2)24-21(26)22(10-11-22)20(25)23-12-9-17-5-4-6-19(14-17)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyKHNPRCDNNNCDAG-UHFFFAOYSA-N
XLogP3.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]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'-(3-chloro-4-methylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977692
1-N-[2-(3-methoxyphenyl)ethyl]-1-N'-(3-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108977662
1-N'-(2,6-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977671
1-N'-(3-methoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977160
1-N'-(3-methoxyphenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977779
1-N'-(2-methoxyphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977694
1-N'-(2-fluorophenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977684
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169
1-N'-(3,4-difluorophenyl)-1-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide
CID 108977809
1-N-[2-(2-fluorophenyl)ethyl]-1-N'-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108977400
1-N'-(2,6-dimethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108981560
1-amino-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119711038

Frequently Asked Questions

What is the IUPAC name of 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide (CID 108977669) is 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is COc1cccc(CCNC(=O)C2(C(=O)Nc3ccc(C)c(C)c3)CC2)c1.
What is the InChIKey of 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is KHNPRCDNNNCDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-15-7-8-18(13-16(15)2)24-21(26)22(10-11-22)20(25)23-12-9-17-5-4-6-19(14-17)27-3/h4-8,13-14H,9-12H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide?
1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(3,4-dimethylphenyl)-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108977669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).