3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide

C19H22N2O4 — CID 46489735

IUPAC3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(C)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-11-6-7-14(9-15(11)20-13(3)22)19(23)21-16-10-18(25-5)17(24-4)8-12(16)2/h6-10H,1-5H3,(H,20,22)(H,21,23)
InChIKeyNNNSEZYKFDUIJE-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.53
Rot. Bonds5

About 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide

3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide (PubChem CID 46489735) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
PubChem CID46489735
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide
SMILESCOc1cc(C)c(NC(=O)c2ccc(C)c(NC(C)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O4/c1-11-6-7-14(9-15(11)20-13(3)22)19(23)21-16-10-18(25-5)17(24-4)8-12(16)2/h6-10H,1-5H3,(H,20,22)(H,21,23)
InChIKeyNNNSEZYKFDUIJE-UHFFFAOYSA-N
XLogP3.53
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(4-iodo-2,5-dimethylphenyl)-3,4-dimethoxybenzamide
CID 1296960
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
N-(5-amino-2,4-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 104756886
N-(4,5-dimethoxy-2-methylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 7751072
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
N-(4,5-dimethoxy-2-methylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 40600054
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179401
3-[(2,6-dimethoxybenzoyl)amino]-4-methylbenzoic acid
CID 769955
N-(5-bromo-4-fluoro-2-methylphenyl)-3-methoxy-4-methylbenzamide
CID 103274645
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
tert-butyl N-[[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]phenyl]methyl]carbamate
CID 26704671

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide (CID 46489735) is 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide is COc1cc(C)c(NC(=O)c2ccc(C)c(NC(C)=O)c2)cc1OC.
What is the InChIKey of 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide?
The InChIKey is NNNSEZYKFDUIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-11-6-7-14(9-15(11)20-13(3)22)19(23)21-16-10-18(25-5)17(24-4)8-12(16)2/h6-10H,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide?
3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide has a molecular weight of 342.40 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4,5-dimethoxy-2-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 46489735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).