3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide

C19H23NO3 — CID 112762358

IUPAC3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2ccccc2C)cc(OC)c1C
InChIInChI=1S/C19H23NO3/c1-12-8-6-7-9-16(12)14(3)20-19(21)15-10-17(22-4)13(2)18(11-15)23-5/h6-11,14H,1-5H3,(H,20,21)
InChIKeyGQNUWTSPUIMOTP-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.81
Rot. Bonds5

About 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide

3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide (PubChem CID 112762358) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
PubChem CID112762358
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2ccccc2C)cc(OC)c1C
InChIInChI=1S/C19H23NO3/c1-12-8-6-7-9-16(12)14(3)20-19(21)15-10-17(22-4)13(2)18(11-15)23-5/h6-11,14H,1-5H3,(H,20,21)
InChIKeyGQNUWTSPUIMOTP-UHFFFAOYSA-N
XLogP3.81
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethoxy-4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 2557457
2-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 18111879
4-ethoxy-3-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 133209826
3,4,5-trimethoxy-N-[(S)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647148
3,4,5-trimethoxy-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 92647149
2-amino-6-methoxy-N-[1-(2-methylphenyl)ethyl]benzamide
CID 81394137
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
4-ethoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-methylbenzamide
CID 28558287
N-[1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 17472832
N-[(1R)-1-(2-methoxyphenyl)ethyl]-3,4-dimethyl-5-(methylsulfamoyl)benzamide
CID 26001159
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
3-bromo-N-[1-(2-methoxyphenyl)ethyl]-5-methylbenzamide
CID 104852020

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The IUPAC name of 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide (CID 112762358) is 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide is COc1cc(C(=O)NC(C)c2ccccc2C)cc(OC)c1C.
What is the InChIKey of 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
The InChIKey is GQNUWTSPUIMOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-8-6-7-9-16(12)14(3)20-19(21)15-10-17(22-4)13(2)18(11-15)23-5/h6-11,14H,1-5H3,(H,20,21).
What are the key properties of 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide?
3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide has a molecular weight of 313.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide is sourced from PubChem (CID 112762358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).