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

C17H19NO3 — CID 17018061

IUPAC4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2OC)cc1C
InChIInChI=1S/C17H19NO3/c1-12-10-13(8-9-15(12)20-2)17(19)18-11-14-6-4-5-7-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyBPKONTOXSNOASP-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.94
Rot. Bonds5

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

4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide (PubChem CID 17018061) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
PubChem CID17018061
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide
SMILESCOc1ccc(C(=O)NCc2ccccc2OC)cc1C
InChIInChI=1S/C17H19NO3/c1-12-10-13(8-9-15(12)20-2)17(19)18-11-14-6-4-5-7-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19)
InChIKeyBPKONTOXSNOASP-UHFFFAOYSA-N
XLogP2.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The IUPAC name of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide (CID 17018061) is 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The canonical SMILES for 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide is COc1ccc(C(=O)NCc2ccccc2OC)cc1C.
What is the InChIKey of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
The InChIKey is BPKONTOXSNOASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-10-13(8-9-15(12)20-2)17(19)18-11-14-6-4-5-7-16(14)21-3/h4-10H,11H2,1-3H3,(H,18,19).
What are the key properties of 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide?
4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(2-methoxyphenyl)methyl]-3-methylbenzamide is sourced from PubChem (CID 17018061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).