3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide

C19H23NO3 — CID 134028026

IUPAC3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccccc2C)ccc1OC
InChIInChI=1S/C19H23NO3/c1-5-23-18-12-15(10-11-17(18)22-4)19(21)20(3)13-16-9-7-6-8-14(16)2/h6-12H,5,13H2,1-4H3
InChIKeyLWINMOQNYSJKBK-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.67
Rot. Bonds6

About 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide

3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 134028026) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID134028026
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2ccccc2C)ccc1OC
InChIInChI=1S/C19H23NO3/c1-5-23-18-12-15(10-11-17(18)22-4)19(21)20(3)13-16-9-7-6-8-14(16)2/h6-12H,5,13H2,1-4H3
InChIKeyLWINMOQNYSJKBK-UHFFFAOYSA-N
XLogP3.67
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-ethoxy-N,3-dimethylbenzamide
CID 86938006
3-ethoxy-4-methoxy-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 31645741
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 51161410
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
CID 9368938
N,N-dibenzyl-3-ethoxy-4-methoxybenzamide
CID 55334507
3-(tert-butylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 55861150
3-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylbenzamide
CID 61027377
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide (CID 134028026) is 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide is CCOc1cc(C(=O)N(C)Cc2ccccc2C)ccc1OC.
What is the InChIKey of 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is LWINMOQNYSJKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-5-23-18-12-15(10-11-17(18)22-4)19(21)20(3)13-16-9-7-6-8-14(16)2/h6-12H,5,13H2,1-4H3.
What are the key properties of 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide?
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 134028026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).