3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

C19H22N2O4 — CID 38009809

IUPAC3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2cccc(C(N)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-12-8-16(24-3)17(25-4)10-15(12)11-21(2)19(23)14-7-5-6-13(9-14)18(20)22/h5-10H,11H2,1-4H3,(H2,20,22)
InChIKeyJMJXLUAXRMUZKR-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.38
Rot. Bonds6

About 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide

3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 38009809) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID38009809
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
SMILESCOc1cc(C)c(CN(C)C(=O)c2cccc(C(N)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-12-8-16(24-3)17(25-4)10-15(12)11-21(2)19(23)14-7-5-6-13(9-14)18(20)22/h5-10H,11H2,1-4H3,(H2,20,22)
InChIKeyJMJXLUAXRMUZKR-UHFFFAOYSA-N
XLogP2.38
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-(ethoxymethyl)-4-methoxy-N-methylbenzamide
CID 9084981
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-3-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 9277349
3-[2-[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]-2-oxoethyl]benzoic acid
CID 120690589
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
3-amino-1-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-methylurea
CID 115192794
N-[(3-aminophenyl)methyl]-3-methoxy-N,4-dimethylbenzamide
CID 43457763
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]furan-2-carboxylic acid
CID 120690586
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
5-[(4,5-dimethoxy-2-methylphenyl)methyl-methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120690573

Frequently Asked Questions

What is the IUPAC name of 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide (CID 38009809) is 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is COc1cc(C)c(CN(C)C(=O)c2cccc(C(N)=O)c2)cc1OC.
What is the InChIKey of 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is JMJXLUAXRMUZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-12-8-16(24-3)17(25-4)10-15(12)11-21(2)19(23)14-7-5-6-13(9-14)18(20)22/h5-10H,11H2,1-4H3,(H2,20,22).
What are the key properties of 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide?
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 38009809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).