3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide

C20H22N2O4 — CID 109050721

IUPAC3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)NC3CC3)c2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-6-13(10-18(17)26-2)12-21-19(23)14-4-3-5-15(11-14)20(24)22-16-7-8-16/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCFRYLGZPYXAGNB-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.53
Rot. Bonds7

About 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide

3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide (PubChem CID 109050721) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
PubChem CID109050721
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
SMILESCOc1ccc(CNC(=O)c2cccc(C(=O)NC3CC3)c2)cc1OC
InChIInChI=1S/C20H22N2O4/c1-25-17-9-6-13(10-18(17)26-2)12-21-19(23)14-4-3-5-15(11-14)20(24)22-16-7-8-16/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyCFRYLGZPYXAGNB-UHFFFAOYSA-N
XLogP2.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-butyl-3-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109051107
N-[(3,4-dimethoxyphenyl)methyl]-3-hydroxybenzamide
CID 43397926
1-N-benzyl-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050687
3-N-cyclopropyl-1-N-(3,4-dimethoxyphenyl)benzene-1,3-dicarboxamide
CID 109050802
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
3-(cyclopropylcarbamoylamino)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 55883350
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052154
4-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109144703
4-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 23087734
3-N-cyclohexyl-1-N-[(4-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109052147
N-[(3,4-dimethoxyphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 38001059

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide (CID 109050721) is 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide is COc1ccc(CNC(=O)c2cccc(C(=O)NC3CC3)c2)cc1OC.
What is the InChIKey of 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is CFRYLGZPYXAGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-25-17-9-6-13(10-18(17)26-2)12-21-19(23)14-4-3-5-15(11-14)20(24)22-16-7-8-16/h3-6,9-11,16H,7-8,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide?
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 109050721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).