1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

C21H24N2O3 — CID 109135826

IUPAC1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-14-9-10-19(26-3)18(11-14)22-20(24)16-12-17(16)21(25)23(2)13-15-7-5-4-6-8-15/h4-11,16-17H,12-13H2,1-3H3,(H,22,24)
InChIKeyUGYOISDABDWKIE-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.24
Rot. Bonds6

About 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide

1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (PubChem CID 109135826) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
PubChem CID109135826
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)C1CC1C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C21H24N2O3/c1-14-9-10-19(26-3)18(11-14)22-20(24)16-12-17(16)21(25)23(2)13-15-7-5-4-6-8-15/h4-11,16-17H,12-13H2,1-3H3,(H,22,24)
InChIKeyUGYOISDABDWKIE-UHFFFAOYSA-N
XLogP3.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
1-N-benzyl-1-N-methyl-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109135783
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
1-N-benzyl-2-N-(2-tert-butylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135805
1-N-benzyl-2-N-(2-cyanophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135868
2-N-[(2-chlorophenyl)methyl]-1-N-(2-methoxy-5-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109136241
2-[acetyl(benzyl)amino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 113161291
1-N-benzyl-2-N-(2,6-diethylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135803
1-N-benzyl-2-N-(3-bromophenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135850
N-(2-methoxy-5-methylphenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131920
benzyl N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 124622715
1-N-benzyl-1-N-methyl-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109135854

Frequently Asked Questions

What is the IUPAC name of 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide (CID 109135826) is 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is COc1ccc(C)cc1NC(=O)C1CC1C(=O)N(C)Cc1ccccc1.
What is the InChIKey of 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
The InChIKey is UGYOISDABDWKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-9-10-19(26-3)18(11-14)22-20(24)16-12-17(16)21(25)23(2)13-15-7-5-4-6-8-15/h4-11,16-17H,12-13H2,1-3H3,(H,22,24).
What are the key properties of 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide?
1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide has a molecular weight of 352.43 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-benzyl-2-N-(2-methoxy-5-methylphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).