3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide

C21H25ClN2O2 — CID 113125531

IUPAC3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C21H25ClN2O2/c1-4-17-10-7-8-15(2)21(17)24(16(3)25)13-12-20(26)23-14-18-9-5-6-11-19(18)22/h5-11H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyZPQMOBNCNIOHIW-UHFFFAOYSA-N
MW372.90 g/mol
LogP4.27
Rot. Bonds7

About 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide

3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113125531) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113125531
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCCc1cccc(C)c1N(CCC(=O)NCc1ccccc1Cl)C(C)=O
InChIInChI=1S/C21H25ClN2O2/c1-4-17-10-7-8-15(2)21(17)24(16(3)25)13-12-20(26)23-14-18-9-5-6-11-19(18)22/h5-11H,4,12-14H2,1-3H3,(H,23,26)
InChIKeyZPQMOBNCNIOHIW-UHFFFAOYSA-N
XLogP4.27
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2,6-dimethylanilino)-N-[(2-methylphenyl)methyl]propanamide
CID 113124832
3-(N-acetyl-2,6-difluoroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113135356
2-(N-acetyl-2,6-diethylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113170122
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113125538
3-(N-acetyl-2-ethyl-6-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113125511
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
N-(3-acetamidophenyl)-3-(N-acetyl-2-ethyl-6-methylanilino)propanamide
CID 113125623
2-(N-acetyl-2-methylanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113167289
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
N-[2-(N-acetyl-2,6-diethylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113058904

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide (CID 113125531) is 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide is CCc1cccc(C)c1N(CCC(=O)NCc1ccccc1Cl)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is ZPQMOBNCNIOHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-4-17-10-7-8-15(2)21(17)24(16(3)25)13-12-20(26)23-14-18-9-5-6-11-19(18)22/h5-11H,4,12-14H2,1-3H3,(H,23,26).
What are the key properties of 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide?
3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 372.90 g/mol, XLogP of 4.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethyl-6-methylanilino)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113125531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).