1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

C21H24N2O4 — CID 109135831

IUPAC1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-23(13-14-7-5-4-6-8-14)21(25)17-12-16(17)20(24)22-15-9-10-18(26-2)19(11-15)27-3/h4-11,16-17H,12-13H2,1-3H3,(H,22,24)
InChIKeyBPBHPYXTNJCJQL-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.94
Rot. Bonds7

About 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109135831) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109135831
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)C2CC2C(=O)N(C)Cc2ccccc2)cc1OC
InChIInChI=1S/C21H24N2O4/c1-23(13-14-7-5-4-6-8-14)21(25)17-12-16(17)20(24)22-15-9-10-18(26-2)19(11-15)27-3/h4-11,16-17H,12-13H2,1-3H3,(H,22,24)
InChIKeyBPBHPYXTNJCJQL-UHFFFAOYSA-N
XLogP2.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135826
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
2-[benzyl(methyl)amino]-N-(3,4-dimethoxyphenyl)acetamide
CID 8901253
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791430
1-N-benzyl-2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-ethylcyclopropane-1,2-dicarboxamide
CID 109136757

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109135831) is 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is COc1ccc(NC(=O)C2CC2C(=O)N(C)Cc2ccccc2)cc1OC.
What is the InChIKey of 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is BPBHPYXTNJCJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-23(13-14-7-5-4-6-8-14)21(25)17-12-16(17)20(24)22-15-9-10-18(26-2)19(11-15)27-3/h4-11,16-17H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.94, 7 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)-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).