3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide

C18H28N2O2 — CID 113124190

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(C(C)=O)c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O2/c1-6-7-11-19(5)18(22)10-12-20(16(4)21)17-9-8-14(2)13-15(17)3/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyNQWAVRIGKQGWPA-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.30
Rot. Bonds7

About 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide

3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide (PubChem CID 113124190) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
PubChem CID113124190
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCN(C(C)=O)c1ccc(C)cc1C
InChIInChI=1S/C18H28N2O2/c1-6-7-11-19(5)18(22)10-12-20(16(4)21)17-9-8-14(2)13-15(17)3/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyNQWAVRIGKQGWPA-UHFFFAOYSA-N
XLogP3.30
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-4-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127871
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
3-(N-acetyl-2,5-dimethylanilino)-N,N-diethylpropanamide
CID 113124355
2-(N-acetyl-2-methylanilino)-N-butyl-N-methylacetamide
CID 113167338
2-(N-acetyl-3-methylanilino)-N-butyl-N-methylacetamide
CID 113167534
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
2-(N-acetyl-3,5-dimethylanilino)-N-butyl-N-methylacetamide
CID 113168509
methyl 4-[acetyl(butyl)amino]-3-methylbenzoate
CID 24820704
3-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-benzyl-N-methylpropanamide
CID 113134517

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide (CID 113124190) is 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)CCN(C(C)=O)c1ccc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide?
The InChIKey is NQWAVRIGKQGWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-6-7-11-19(5)18(22)10-12-20(16(4)21)17-9-8-14(2)13-15(17)3/h8-9,13H,6-7,10-12H2,1-5H3.
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-butyl-N-methylpropanamide is sourced from PubChem (CID 113124190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).