1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide

C22H26N2O4 — CID 109139522

IUPAC1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H26N2O4/c1-14-5-4-6-15(2)20(14)24-22(26)19-13-18(19)21(25)23-11-12-28-17-9-7-16(27-3)8-10-17/h4-10,18-19H,11-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRJFGZESGVMESFP-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.08
Rot. Bonds8

About 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109139522) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109139522
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(OCCNC(=O)C2CC2C(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C22H26N2O4/c1-14-5-4-6-15(2)20(14)24-22(26)19-13-18(19)21(25)23-11-12-28-17-9-7-16(27-3)8-10-17/h4-10,18-19H,11-13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyRJFGZESGVMESFP-UHFFFAOYSA-N
XLogP3.08
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]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

1-N-(3-acetylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide
CID 109139542
1-N-(2-ethyl-6-methylphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138006
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(2-methyl-6-propan-2-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138011
N-[2-(4-methoxyphenoxy)ethyl]-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109133327
2-N-[2-(4-methoxyphenoxy)ethyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136894
trans-(1R,2R)-2-[2-(3-methoxyphenoxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125150665
N-[2-(4-methoxyphenoxy)ethyl]cyclopropanecarboxamide
CID 8935452
1-N-(2,6-diethylphenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109132998
1-(2,6-dimethylphenyl)-3-[2-(4-ethoxyphenoxy)ethyl]urea
CID 112973189
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
2-methyl-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 78780831
1-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186244

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide (CID 109139522) is 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide is COc1ccc(OCCNC(=O)C2CC2C(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is RJFGZESGVMESFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-14-5-4-6-15(2)20(14)24-22(26)19-13-18(19)21(25)23-11-12-28-17-9-7-16(27-3)8-10-17/h4-10,18-19H,11-13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 382.46 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,6-dimethylphenyl)-2-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).