3-methoxy-N-methyl-4-phenylmethoxybenzamide

C16H17NO3 — CID 934640

IUPAC3-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-17-16(18)13-8-9-14(15(10-13)19-2)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyBTIQQDLIITUPAR-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.63
Rot. Bonds5

About 3-methoxy-N-methyl-4-phenylmethoxybenzamide

3-methoxy-N-methyl-4-phenylmethoxybenzamide (PubChem CID 934640) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-phenylmethoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-phenylmethoxybenzamide
PubChem CID934640
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-methoxy-N-methyl-4-phenylmethoxybenzamide
SMILESCNC(=O)c1ccc(OCc2ccccc2)c(OC)c1
InChIInChI=1S/C16H17NO3/c1-17-16(18)13-8-9-14(15(10-13)19-2)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18)
InChIKeyBTIQQDLIITUPAR-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-phenylmethoxybenzamide?
The IUPAC name of 3-methoxy-N-methyl-4-phenylmethoxybenzamide (CID 934640) is 3-methoxy-N-methyl-4-phenylmethoxybenzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-phenylmethoxybenzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-phenylmethoxybenzamide is CNC(=O)c1ccc(OCc2ccccc2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-phenylmethoxybenzamide?
The InChIKey is BTIQQDLIITUPAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-17-16(18)13-8-9-14(15(10-13)19-2)20-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,17,18).
What are the key properties of 3-methoxy-N-methyl-4-phenylmethoxybenzamide?
3-methoxy-N-methyl-4-phenylmethoxybenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-phenylmethoxybenzamide is sourced from PubChem (CID 934640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).