3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide

C20H23ClN2O3 — CID 113129157

IUPAC3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2c(C)cc(C)cc2Cl)C(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13-11-14(2)20(18(21)12-13)22-19(25)9-10-23(15(3)24)16-5-7-17(26-4)8-6-16/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyWARNQBCAZUDUOX-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.35
Rot. Bonds6

About 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide

3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide (PubChem CID 113129157) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
PubChem CID113129157
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
SMILESCOc1ccc(N(CCC(=O)Nc2c(C)cc(C)cc2Cl)C(C)=O)cc1
InChIInChI=1S/C20H23ClN2O3/c1-13-11-14(2)20(18(21)12-13)22-19(25)9-10-23(15(3)24)16-5-7-17(26-4)8-6-16/h5-8,11-12H,9-10H2,1-4H3,(H,22,25)
InChIKeyWARNQBCAZUDUOX-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-2,5-dimethoxyanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113130020
3-(N-acetyl-3,4-dimethylanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113124562
2-(4-acetamido-N-acetylanilino)-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175984
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113129028
3-(N-acetyl-4-methoxyanilino)-N-(3-bromophenyl)propanamide
CID 113129189
2-[N-acetyl-4-(trifluoromethyl)anilino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 113175336
3-(N-acetyl-2,3-dichloroanilino)-N-(2,4,6-trimethylphenyl)propanamide
CID 113134338
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854
3-[acetyl(3-phenylpropyl)amino]-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113122292

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide (CID 113129157) is 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide is COc1ccc(N(CCC(=O)Nc2c(C)cc(C)cc2Cl)C(C)=O)cc1.
What is the InChIKey of 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
The InChIKey is WARNQBCAZUDUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-13-11-14(2)20(18(21)12-13)22-19(25)9-10-23(15(3)24)16-5-7-17(26-4)8-6-16/h5-8,11-12H,9-10H2,1-4H3,(H,22,25).
What are the key properties of 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide?
3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide has a molecular weight of 374.87 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methoxyanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide is sourced from PubChem (CID 113129157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).