3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

C21H25ClN2O3 — CID 113124622

IUPAC3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCN(C(C)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H25ClN2O3/c1-13-6-7-17(10-14(13)2)24(16(4)25)9-8-21(26)23-19-11-15(3)18(22)12-20(19)27-5/h6-7,10-12H,8-9H2,1-5H3,(H,23,26)
InChIKeyHHXUUNNFAXOKCR-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.66
Rot. Bonds6

About 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide

3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (PubChem CID 113124622) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
PubChem CID113124622
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)CCN(C(C)=O)c1ccc(C)c(C)c1
InChIInChI=1S/C21H25ClN2O3/c1-13-6-7-17(10-14(13)2)24(16(4)25)9-8-21(26)23-19-11-15(3)18(22)12-20(19)27-5/h6-7,10-12H,8-9H2,1-5H3,(H,23,26)
InChIKeyHHXUUNNFAXOKCR-UHFFFAOYSA-N
XLogP4.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113128420
N-(4-chloro-2-methoxy-5-methylphenyl)-4-oxopentanamide
CID 60637672
3-[acetyl(3-methoxypropyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113117237
3-[acetyl-[(3-methylphenyl)methyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 113118705
2-(N-acetyl-4-ethoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113174007
2-[acetyl(propyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113158086
N-(4-chloro-2-methoxy-5-methylphenyl)-3-[2-(dimethylamino)ethylamino]propanamide
CID 109016508
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
3-(N-acetyl-3-chloro-4-methylanilino)-N-(2-fluorophenyl)propanamide
CID 113128049
3-(N-acetyl-5-chloro-2-methylanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113127763
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113160569
2-[acetyl(2-methoxyethyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 113159978

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide (CID 113124622) is 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is COc1cc(Cl)c(C)cc1NC(=O)CCN(C(C)=O)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
The InChIKey is HHXUUNNFAXOKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-13-6-7-17(10-14(13)2)24(16(4)25)9-8-21(26)23-19-11-15(3)18(22)12-20(19)27-5/h6-7,10-12H,8-9H2,1-5H3,(H,23,26).
What are the key properties of 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide?
3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide has a molecular weight of 388.90 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethylanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide is sourced from PubChem (CID 113124622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).