3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide

C18H21NO4 — CID 70706683

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(Cc2cccc(OC)c2OC)c1
InChIInChI=1S/C18H21NO4/c1-19-18(20)13-8-9-15(21-2)14(11-13)10-12-6-5-7-16(22-3)17(12)23-4/h5-9,11H,10H2,1-4H3,(H,19,20)
InChIKeyBUNAIPIZTCEDPB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.66
Rot. Bonds6

About 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide

3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide (PubChem CID 70706683) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
PubChem CID70706683
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC)c(Cc2cccc(OC)c2OC)c1
InChIInChI=1S/C18H21NO4/c1-19-18(20)13-8-9-15(21-2)14(11-13)10-12-6-5-7-16(22-3)17(12)23-4/h5-9,11H,10H2,1-4H3,(H,19,20)
InChIKeyBUNAIPIZTCEDPB-UHFFFAOYSA-N
XLogP2.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methylamino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 46586806
[2-[(2,3-dimethoxyphenyl)methyl-methylamino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9124286
3-methoxy-N-methyl-4-propylbenzamide
CID 155440057
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
CID 17018061
N-[(2,3-dimethoxyphenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
CID 22588087
2,3-dimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912335
2-[2-(2,3-dimethoxyphenyl)phenyl]-N-methylacetamide
CID 11822216
N-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylphenyl)acetamide
CID 46590423
N-[(2,3-dimethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 46590636
4-methoxy-3-[(3-methoxybenzoyl)amino]-N-methylbenzamide
CID 87001832

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide (CID 70706683) is 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide is CNC(=O)c1ccc(OC)c(Cc2cccc(OC)c2OC)c1.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
The InChIKey is BUNAIPIZTCEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-19-18(20)13-8-9-15(21-2)14(11-13)10-12-6-5-7-16(22-3)17(12)23-4/h5-9,11H,10H2,1-4H3,(H,19,20).
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide?
3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 70706683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).