2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide

C22H26N2O5 — CID 109142121

IUPAC2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H26N2O5/c1-5-13-6-8-14(9-7-13)23-21(25)16-12-17(16)22(26)24-15-10-18(27-2)20(29-4)19(11-15)28-3/h6-11,16-17H,5,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNWSHNPTXUSPZJU-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.49
Rot. Bonds8

About 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide

2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109142121) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109142121
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCCc1ccc(NC(=O)C2CC2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C22H26N2O5/c1-5-13-6-8-14(9-7-13)23-21(25)16-12-17(16)22(26)24-15-10-18(27-2)20(29-4)19(11-15)28-3/h6-11,16-17H,5,12H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyNWSHNPTXUSPZJU-UHFFFAOYSA-N
XLogP3.49
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142084
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138589
2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
2-[(4-ethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54918615
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109137440
2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109133790
1-N-[4-(diethylamino)phenyl]-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142108
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
1-N-(2,4-difluorophenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142120
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109142121) is 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide is CCc1ccc(NC(=O)C2CC2C(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is NWSHNPTXUSPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-5-13-6-8-14(9-7-13)23-21(25)16-12-17(16)22(26)24-15-10-18(27-2)20(29-4)19(11-15)28-3/h6-11,16-17H,5,12H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109142121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).