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

C22H26N2O5 — CID 109137440

IUPAC2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cc(NC(=O)C2CC2C(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5/c1-27-18-11-15(12-19(28-2)20(18)29-3)24-22(26)17-13-16(17)21(25)23-10-9-14-7-5-4-6-8-14/h4-8,11-12,16-17H,9-10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWHTAQFOVZQLCHY-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.65
Rot. Bonds9

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

2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109137440) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109137440
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1cc(NC(=O)C2CC2C(=O)NCCc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C22H26N2O5/c1-27-18-11-15(12-19(28-2)20(18)29-3)24-22(26)17-13-16(17)21(25)23-10-9-14-7-5-4-6-8-14/h4-8,11-12,16-17H,9-10,13H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyWHTAQFOVZQLCHY-UHFFFAOYSA-N
XLogP2.65
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-N'-(3,4,5-trimethoxyphenyl)oxamide
CID 108985137
2-N-[2-(dimethylamino)ethyl]-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109133790
2-N-[2-(2-methoxyphenyl)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109137821
2-N-(4-ethylphenyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142121
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
2-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109138589
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
1-N-(2-phenylethyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130457
3-phenyl-N-(3,4,5-trimethoxyphenyl)propanamide
CID 2991890
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
1-N-(3-chloro-4-methoxyphenyl)-2-N-[2-(4-fluorophenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137754
ethyl 2-(2-phenylethylcarbamoyl)cyclopropane-1-carboxylate
CID 102105174

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109137440) is 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide is COc1cc(NC(=O)C2CC2C(=O)NCCc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is WHTAQFOVZQLCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-27-18-11-15(12-19(28-2)20(18)29-3)24-22(26)17-13-16(17)21(25)23-10-9-14-7-5-4-6-8-14/h4-8,11-12,16-17H,9-10,13H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide?
2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 398.46 g/mol, XLogP of 2.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).