N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide

C14H20N2O2 — CID 47205616

IUPACN-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O2/c1-4-5-13(17)15-9-14(18)16-12-7-6-10(2)8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBKAFZTBQAUAWAS-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.16
Rot. Bonds5

About N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide

N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide (PubChem CID 47205616) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
PubChem CID47205616
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(C)cc1C
InChIInChI=1S/C14H20N2O2/c1-4-5-13(17)15-9-14(18)16-12-7-6-10(2)8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18)
InChIKeyBKAFZTBQAUAWAS-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-butanoylhydrazinyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 5199281
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-3,3-diphenylpropanamide
CID 112996368
N-[4-chloro-3-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54831351
N-(2,4-dimethylphenyl)-2-methylidenepentanamide
CID 141225698
N'-(2,4-dimethylphenyl)-N-pentylpropanediamide
CID 108951896
3-amino-N-(2,4-dimethylphenyl)propanamide;hydrochloride
CID 50944164
N-(2,4-dimethylphenyl)-4-methylpentanamide
CID 78775203
N-[2-[4-(diethylamino)-2-methylanilino]-2-oxoethyl]pentanamide
CID 113001639
3-bromo-N-[2-(2,4-dimethylanilino)-2-oxoethyl]benzamide
CID 26538678
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]butanamide
CID 112998242

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide?
The IUPAC name of N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide (CID 47205616) is N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1ccc(C)cc1C.
What is the InChIKey of N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide?
The InChIKey is BKAFZTBQAUAWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-4-5-13(17)15-9-14(18)16-12-7-6-10(2)8-11(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide?
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide has a molecular weight of 248.33 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 47205616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).