1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide

C23H28N2O4 — CID 109136757

IUPAC1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-4-25(15-16-8-6-5-7-9-16)23(27)19-13-18(19)22(26)24-14-17-10-11-20(28-2)21(12-17)29-3/h5-12,18-19H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyWTHPPYUDQSUAMN-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.00
Rot. Bonds9

About 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide (PubChem CID 109136757) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
PubChem CID109136757
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
SMILESCCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C23H28N2O4/c1-4-25(15-16-8-6-5-7-9-16)23(27)19-13-18(19)22(26)24-14-17-10-11-20(28-2)21(12-17)29-3/h5-12,18-19H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyWTHPPYUDQSUAMN-UHFFFAOYSA-N
XLogP3.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3,4-dimethoxyphenyl)methyl]-1-N,1-N-dipropylcyclopropane-1,2-dicarboxamide
CID 109138681
1-N-benzyl-1-N-ethyl-2-N-[(4-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135445
1-N-[(3,4-dimethoxyphenyl)methyl]-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130474
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
1-N-benzyl-2-N-[3-(dimethylamino)propyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109133978
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
2-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylcyclopropane-1-carboxamide
CID 51292234
1-N-benzyl-1-N-ethyl-2-N-prop-2-enylcyclopropane-1,2-dicarboxamide
CID 109131047
N-[(3,4-dimethoxyphenyl)methyl]-2-iodocyclopropane-1-carboxamide
CID 78158837
1-N-cyclohexyl-2-N-[(3,4-dimethoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109132413
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]cyclopropanecarboxamide
CID 9325326

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide (CID 109136757) is 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide is CCN(Cc1ccccc1)C(=O)C1CC1C(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
The InChIKey is WTHPPYUDQSUAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-4-25(15-16-8-6-5-7-9-16)23(27)19-13-18(19)22(26)24-14-17-10-11-20(28-2)21(12-17)29-3/h5-12,18-19H,4,13-15H2,1-3H3,(H,24,26).
What are the key properties of 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.00, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).