3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide

C22H27ClN2O2 — CID 51310542

IUPAC3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C22H27ClN2O2/c1-5-16-11-12-19(23)18(6-2)22(16)25-21(27)13-20(24-15(4)26)17-9-7-14(3)8-10-17/h7-12,20H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyAFRUIOAMOWAZFR-UHFFFAOYSA-N
MW386.92 g/mol
LogP4.98
Rot. Bonds7

About 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide

3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide (PubChem CID 51310542) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
PubChem CID51310542
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)CC(NC(C)=O)c1ccc(C)cc1
InChIInChI=1S/C22H27ClN2O2/c1-5-16-11-12-19(23)18(6-2)22(16)25-21(27)13-20(24-15(4)26)17-9-7-14(3)8-10-17/h7-12,20H,5-6,13H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyAFRUIOAMOWAZFR-UHFFFAOYSA-N
XLogP4.98
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
CID 23635235
1-{2-[(1S)-Amino-2-methylpropyl]-6-fluorophenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-piperazine
CID 44577054
2-(2-Chloro-phenyl)-N-(2,6-dimethyl-phenyl)-2-formylamino-acetamide
CID 3089939
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylcyclohexanecarboxamide
CID 4879867
(1S)-(2-{4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]-1-piperazinyl}-5-methylphenyl)-3-methylbutylamine
CID 16046215
1-{2-[(1S)-amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
CID 23635105
1-{2-[(1S)-(3-dimethylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(2-fluoro-4-chlorophenyl)propionyl]piperazine
CID 23635108
1-{2-[(1S)-(methylaminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
CID 23635236
1-{2-[(1S)-(aminopropionyl)amino-2-methylpropyl]-4-methylphenyl}-4-[(2R)-methyl-3-(4-chlorophenyl)propionyl]piperazine
CID 23635237
N-[(1S)-1-[2-[4-[(2R)-3-(4-chlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-5-methylphenyl]-3-methylbutyl]-3-(dimethylamino)propanamide
CID 24740653
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)-4-methylphenyl)piperazin-1-yl)-3-(2,4-dichlorophenyl)-2-methylpropan-1-one
CID 44416183
(R)-1-(4-(2-((S)-1-amino-3-methylbutyl)phenyl)piperazin-1-yl)-3-(4-chlorophenyl)-2-methylpropan-1-one
CID 44416184

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide (CID 51310542) is 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide is CCc1ccc(Cl)c(CC)c1NC(=O)CC(NC(C)=O)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide?
The InChIKey is AFRUIOAMOWAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN2O2/c1-5-16-11-12-19(23)18(6-2)22(16)25-21(27)13-20(24-15(4)26)17-9-7-14(3)8-10-17/h7-12,20H,5-6,13H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide?
3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide has a molecular weight of 386.92 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-chloro-2,6-diethylphenyl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 51310542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).