N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide

C18H24N2O4 — CID 21044969

IUPACN-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide
SMILESCC(=O)C(C)C(=O)Nc1cc(C)c(NC(=O)C(C)C(C)=O)cc1C
InChIInChI=1S/C18H24N2O4/c1-9-7-16(20-18(24)12(4)14(6)22)10(2)8-15(9)19-17(23)11(3)13(5)21/h7-8,11-12H,1-6H3,(H,19,23)(H,20,24)
InChIKeyGHRJXZGQGSBAMS-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.63
Rot. Bonds6

About N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide

N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide (PubChem CID 21044969) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide
PubChem CID21044969
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC NameN-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide
SMILESCC(=O)C(C)C(=O)Nc1cc(C)c(NC(=O)C(C)C(C)=O)cc1C
InChIInChI=1S/C18H24N2O4/c1-9-7-16(20-18(24)12(4)14(6)22)10(2)8-15(9)19-17(23)11(3)13(5)21/h7-8,11-12H,1-6H3,(H,19,23)(H,20,24)
InChIKeyGHRJXZGQGSBAMS-UHFFFAOYSA-N
XLogP2.63
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-methyl-3-oxo-3-(2,4,5-trimethylanilino)propanoic acid
CID 115164126
2-hydroxy-N-(2,4,5-trimethylphenyl)propanamide
CID 115140395
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
CID 106834835
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
3-methyl-2-(methylaminomethyl)-N-(2,4,5-trimethylphenyl)butanamide
CID 115187639
1-(4-amino-2,5-dimethylphenyl)-3-propan-2-ylurea
CID 103144772
(2R)-2-amino-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 54996224
1-hydroxy-1-propan-2-yl-3-(2,4,5-trimethylphenyl)urea
CID 19967375
N-(2,4,5-trimethylphenyl)carbamoyl fluoride
CID 88834231
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
(2S)-2-amino-N-(2,5-dimethyl-4-nitrophenyl)-3-methylbutanamide
CID 103145485
2-(aminomethyl)-N-(4-hydroxy-2,5-dimethylphenyl)-4-methylpentanamide
CID 106954435

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide?
The IUPAC name of N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide (CID 21044969) is N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide.
What is the SMILES notation for N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide?
The canonical SMILES for N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide is CC(=O)C(C)C(=O)Nc1cc(C)c(NC(=O)C(C)C(C)=O)cc1C.
What is the InChIKey of N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide?
The InChIKey is GHRJXZGQGSBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-9-7-16(20-18(24)12(4)14(6)22)10(2)8-15(9)19-17(23)11(3)13(5)21/h7-8,11-12H,1-6H3,(H,19,23)(H,20,24).
What are the key properties of N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide?
N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide has a molecular weight of 332.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-4-[(2-methyl-3-oxobutanoyl)amino]phenyl]-2-methyl-3-oxobutanamide is sourced from PubChem (CID 21044969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).