2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide

C18H21NO4 — CID 110779766

IUPAC2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1C
InChIInChI=1S/C18H21NO4/c1-12-10-13(8-9-14(12)21-2)11-19-18(20)17-15(22-3)6-5-7-16(17)23-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyLBWKIPASWCIYFB-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.95
Rot. Bonds6

About 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide

2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide (PubChem CID 110779766) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
PubChem CID110779766
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide
SMILESCOc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1C
InChIInChI=1S/C18H21NO4/c1-12-10-13(8-9-14(12)21-2)11-19-18(20)17-15(22-3)6-5-7-16(17)23-4/h5-10H,11H2,1-4H3,(H,19,20)
InChIKeyLBWKIPASWCIYFB-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 743463
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
N-[(4-fluoro-3-methylphenyl)methyl]-2-methoxy-6-methylbenzamide
CID 131891690
N-[(3-amino-4-methoxyphenyl)methyl]-2,6-dimethylbenzamide
CID 107999896
N-[(4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 5216116
2-ethyl-N-[(4-methoxy-3-methylphenyl)methyl]butanamide
CID 110779755
3-[[(2,6-dimethoxybenzoyl)amino]methyl]benzoic acid
CID 108767636
N-[(3-chloro-4-fluorophenyl)methyl]-2,6-dimethoxybenzamide
CID 110784344
2,6-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666083
N-benzyl-4-methoxy-3-methylbenzamide
CID 17018002
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
N-[(4-methoxy-3-methylphenyl)methyl]-2-methyl-2-(methylamino)propanamide
CID 115165703

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide (CID 110779766) is 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide is COc1ccc(CNC(=O)c2c(OC)cccc2OC)cc1C.
What is the InChIKey of 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide?
The InChIKey is LBWKIPASWCIYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-10-13(8-9-14(12)21-2)11-19-18(20)17-15(22-3)6-5-7-16(17)23-4/h5-10H,11H2,1-4H3,(H,19,20).
What are the key properties of 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide?
2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide has a molecular weight of 315.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[(4-methoxy-3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 110779766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).