N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide

C15H22N2O2 — CID 46563050

IUPACN,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
SMILESCCC(C)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-5-12(3)15(19)17(4)10-14(18)16-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,18)
InChIKeyDQXRKSQWSWXLKM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.44
Rot. Bonds5

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

N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide (PubChem CID 46563050) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
PubChem CID46563050
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide
SMILESCCC(C)C(=O)N(C)CC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C15H22N2O2/c1-5-12(3)15(19)17(4)10-14(18)16-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,18)
InChIKeyDQXRKSQWSWXLKM-UHFFFAOYSA-N
XLogP2.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N,3-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119265149
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024649
[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl]-(2-methylpropyl)azanium
CID 9264985
(2R)-2-(azepan-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8895935
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 18104430
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-(3-methylphenoxy)propanamide
CID 8917521
N-(2-anilino-2-oxoethyl)-N-methyl-2-(4-methylphenoxy)propanamide
CID 46808222
(2R)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-2-piperidin-1-ylpropanamide
CID 8894647
[(2S)-1-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 8818310
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8768055
4-amino-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]pentanamide
CID 120558863

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide?
The IUPAC name of N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide (CID 46563050) is N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide.
What is the SMILES notation for N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide?
The canonical SMILES for N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide is CCC(C)C(=O)N(C)CC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide?
The InChIKey is DQXRKSQWSWXLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-5-12(3)15(19)17(4)10-14(18)16-13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,16,18).
What are the key properties of N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide?
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]butanamide is sourced from PubChem (CID 46563050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).