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

C17H19NO4 — CID 4776419

IUPAC2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1cccc(C(=O)NOCc2ccc(C)cc2)c1OC
InChIInChI=1S/C17H19NO4/c1-12-7-9-13(10-8-12)11-22-18-17(19)14-5-4-6-15(20-2)16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyMHVYAWCOKJEVOJ-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.87
Rot. Bonds6

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

2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide (PubChem CID 4776419) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide
PubChem CID4776419
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide
SMILESCOc1cccc(C(=O)NOCc2ccc(C)cc2)c1OC
InChIInChI=1S/C17H19NO4/c1-12-7-9-13(10-8-12)11-22-18-17(19)14-5-4-6-15(20-2)16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyMHVYAWCOKJEVOJ-UHFFFAOYSA-N
XLogP2.87
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dimethoxyphenyl)-2-(4-methylphenyl)ethanone
CID 61079926
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
2,3-dimethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 912695
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2-methoxy-N-(2-methoxyethoxy)benzamide
CID 79676030
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323
2,3,4-trimethoxy-N'-(4-methylbenzoyl)benzohydrazide
CID 7979201
N'-(2-fluorobenzoyl)-2,3-dimethoxybenzohydrazide
CID 921091
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide (CID 4776419) is 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide is COc1cccc(C(=O)NOCc2ccc(C)cc2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide?
The InChIKey is MHVYAWCOKJEVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-7-9-13(10-8-12)11-22-18-17(19)14-5-4-6-15(20-2)16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide?
2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide has a molecular weight of 301.34 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(4-methylphenyl)methoxy]benzamide is sourced from PubChem (CID 4776419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).