3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

C22H28N2O4 — CID 109055697

IUPAC3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C22H28N2O4/c1-5-6-12-24(2)22(26)18-9-7-8-17(14-18)21(25)23-15-16-10-11-19(27-3)20(13-16)28-4/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,23,25)
InChIKeyIMGUEGYISDGYSS-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.51
Rot. Bonds9

About 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 109055697) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID109055697
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCCCN(C)C(=O)c1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C22H28N2O4/c1-5-6-12-24(2)22(26)18-9-7-8-17(14-18)21(25)23-15-16-10-11-19(27-3)20(13-16)28-4/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,23,25)
InChIKeyIMGUEGYISDGYSS-UHFFFAOYSA-N
XLogP3.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
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
3-N-butyl-1-N-(2,5-dimethoxyphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056400
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
4-N-[(3,4-dimethoxyphenyl)methyl]-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048248
1-N'-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108978430
3-N-cyclopropyl-1-N-[(3,4-dimethoxyphenyl)methyl]benzene-1,3-dicarboxamide
CID 109050721
N-butyl-2-[(3,4-dimethoxyphenyl)methylamino]-N-methylacetamide
CID 109003052
N-[[3-[[(3,4-dimethoxybenzoyl)amino]methyl]phenyl]methyl]-3,4-dimethoxybenzamide
CID 2841934
3-N-butyl-5-N-[(3,4-dimethoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109101964
3-N-butyl-3-N-methyl-1-N-prop-2-enylbenzene-1,3-dicarboxamide
CID 109050938
4-butoxy-N-[[4-(dimethylamino)phenyl]methyl]-3-methoxybenzamide
CID 9303955

Frequently Asked Questions

What is the IUPAC name of 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 109055697) is 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is CCCCN(C)C(=O)c1cccc(C(=O)NCc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is IMGUEGYISDGYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-5-6-12-24(2)22(26)18-9-7-8-17(14-18)21(25)23-15-16-10-11-19(27-3)20(13-16)28-4/h7-11,13-14H,5-6,12,15H2,1-4H3,(H,23,25).
What are the key properties of 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 384.48 g/mol, XLogP of 3.51, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-butyl-1-N-[(3,4-dimethoxyphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109055697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).