N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide

C19H22N2O3 — CID 134019332

IUPACN-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-8-9-16(10-13(12)2)24-11-19(23)21-18-7-5-6-17(14(18)3)20-15(4)22/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyDNEHISQGDDXROC-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.59
Rot. Bonds5

About N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide

N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 134019332) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID134019332
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCC(=O)Nc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1C
InChIInChI=1S/C19H22N2O3/c1-12-8-9-16(10-13(12)2)24-11-19(23)21-18-7-5-6-17(14(18)3)20-15(4)22/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23)
InChIKeyDNEHISQGDDXROC-UHFFFAOYSA-N
XLogP3.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(3,4-dimethylphenoxy)acetyl]amino]-2-methylbenzoic acid
CID 40910613
N-(3-acetamido-2-methylphenyl)-2-(4-ethoxyphenoxy)acetamide
CID 134019141
2-(3,4-dimethylphenoxy)-N-(2-methyl-3-nitrophenyl)acetamide
CID 2991740
N-(3-acetamido-2-methylphenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 38228993
2-(3,4-dimethylphenoxy)-N-(2-methylsulfonylphenyl)acetamide
CID 9137896
N-(3-acetamido-2-methylphenyl)-2-(4-cyanophenoxy)acetamide
CID 134019347
2-(3,4-dimethylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113230
N-(3-acetamido-2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 134019200
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284
2-(3,4-dimethylphenoxy)-N-[2-(4-methylanilino)phenyl]acetamide
CID 108767360
N-(2-acetamidophenyl)-2-(4-bromo-3,5-dimethylphenoxy)acetamide
CID 1329159
2-(3,4-dimethylphenoxy)-N-(2-phenylmethoxyphenyl)acetamide
CID 17093514

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide (CID 134019332) is N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide is CC(=O)Nc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1C.
What is the InChIKey of N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is DNEHISQGDDXROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-12-8-9-16(10-13(12)2)24-11-19(23)21-18-7-5-6-17(14(18)3)20-15(4)22/h5-10H,11H2,1-4H3,(H,20,22)(H,21,23).
What are the key properties of N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide?
N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 326.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 134019332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).