3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide

C21H25ClN2O3 — CID 113134443

IUPAC3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
SMILESCOc1cc(Cl)c(C)cc1N(CCC(=O)N(C)Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-15-12-19(20(27-4)13-18(15)22)24(16(2)25)11-10-21(26)23(3)14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyJYTICKJMNKNNJB-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.06
Rot. Bonds7

About 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide

3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide (PubChem CID 113134443) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
PubChem CID113134443
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide
SMILESCOc1cc(Cl)c(C)cc1N(CCC(=O)N(C)Cc1ccccc1)C(C)=O
InChIInChI=1S/C21H25ClN2O3/c1-15-12-19(20(27-4)13-18(15)22)24(16(2)25)11-10-21(26)23(3)14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14H2,1-4H3
InChIKeyJYTICKJMNKNNJB-UHFFFAOYSA-N
XLogP4.06
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
CID 113134517
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-[(4-fluorophenyl)methyl]propanamide
CID 113134445
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-phenoxyacetamide
CID 113063953
1-benzyl-3-(4-chloro-2-methoxy-5-methylphenyl)-1-methylurea
CID 108988904
3-(N-acetyl-2,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113133420
N-[2-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)ethyl]-2-(2-methylphenyl)acetamide
CID 113063961
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-(N-acetyl-3,4-difluoroanilino)-N-benzyl-N-methylpropanamide
CID 113135516
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxypropyl)propanamide
CID 113134427
3-(N-acetyl-4-ethoxyanilino)-N-benzyl-N-methylpropanamide
CID 113129400
3-[acetyl-[(4-methylphenyl)methyl]amino]-N-benzyl-N-methylpropanamide
CID 113118746

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide (CID 113134443) is 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide is COc1cc(Cl)c(C)cc1N(CCC(=O)N(C)Cc1ccccc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide?
The InChIKey is JYTICKJMNKNNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-15-12-19(20(27-4)13-18(15)22)24(16(2)25)11-10-21(26)23(3)14-17-8-6-5-7-9-17/h5-9,12-13H,10-11,14H2,1-4H3.
What are the key properties of 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide?
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide has a molecular weight of 388.90 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 113134443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).