1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

C21H24N2O3 — CID 109135235

IUPAC1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-17-10-8-16(9-11-17)23-21(25)19-12-18(19)20(24)22-13-15-7-5-4-6-14(15)2/h4-11,18-19H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOECIMMSQWUONOT-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.28
Rot. Bonds7

About 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide

1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109135235) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
PubChem CID109135235
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2C)cc1
InChIInChI=1S/C21H24N2O3/c1-3-26-17-10-8-16(9-11-17)23-21(25)19-12-18(19)20(24)22-13-15-7-5-4-6-14(15)2/h4-11,18-19H,3,12-13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyOECIMMSQWUONOT-UHFFFAOYSA-N
XLogP3.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-chlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142941
2-N-(4-ethoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142430
methyl 2-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143526
1-N-(4-ethoxyphenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133203
methyl 4-[[2-[(4-ethoxyphenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143528
2-N-[(2-chlorophenyl)methyl]-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136243
1-N-(4-acetamidophenyl)-2-N-[(2-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136494
1-N-cycloheptyl-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135182
1-N-butan-2-yl-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109131727
(1R,6S)-6-[(4-ethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylate
CID 7409849
1-N-(2,3-dichlorophenyl)-2-N-(4-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143544
1-N-(3,4-dimethylphenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135936

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide (CID 109135235) is 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is CCOc1ccc(NC(=O)C2CC2C(=O)NCc2ccccc2C)cc1.
What is the InChIKey of 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is OECIMMSQWUONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-3-26-17-10-8-16(9-11-17)23-21(25)19-12-18(19)20(24)22-13-15-7-5-4-6-14(15)2/h4-11,18-19H,3,12-13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide?
1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-ethoxyphenyl)-2-N-[(2-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).