2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide

C23H28N2O4 — CID 109138589

IUPAC2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-4-15-5-8-17(9-6-15)25-23(27)19-14-18(19)22(26)24-12-11-16-7-10-20(28-2)21(13-16)29-3/h5-10,13,18-19H,4,11-12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBKNOKUQZQNJYBI-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.20
Rot. Bonds9

About 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109138589) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109138589
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C23H28N2O4/c1-4-15-5-8-17(9-6-15)25-23(27)19-14-18(19)22(26)24-12-11-16-7-10-20(28-2)21(13-16)29-3/h5-10,13,18-19H,4,11-12,14H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyBKNOKUQZQNJYBI-UHFFFAOYSA-N
XLogP3.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109138571
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754
1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027
2-N-[2-(4-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137993
2-[2-(3-methoxy-4-methylphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185445
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
6-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 3710979

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide (CID 109138589) is 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccc(NC(=O)C2CC2C(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is BKNOKUQZQNJYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-15-5-8-17(9-6-15)25-23(27)19-14-18(19)22(26)24-12-11-16-7-10-20(28-2)21(13-16)29-3/h5-10,13,18-19H,4,11-12,14H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109138589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).