5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid

C15H20N2O4 — CID 62964215

IUPAC5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CC(C)CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9(7-15(20)21)6-14(19)17-13-8-12(16-11(3)18)5-4-10(13)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyPVFIOLBTYPMNGA-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.39
Rot. Bonds6

About 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid

5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid (PubChem CID 62964215) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
PubChem CID62964215
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid
SMILESCC(=O)Nc1ccc(C)c(NC(=O)CC(C)CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-9(7-15(20)21)6-14(19)17-13-8-12(16-11(3)18)5-4-10(13)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyPVFIOLBTYPMNGA-UHFFFAOYSA-N
XLogP2.39
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-methylbutanamide
CID 47191002
5-(2,5-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62965721
5-(5-iodo-2-methylanilino)-3-methyl-5-oxopentanoic acid
CID 114257128
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
3-acetamido-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-3-phenylpropanamide
CID 55762719
N-[4-methyl-3-[[(2S)-3-methylbutan-2-yl]carbamoylamino]phenyl]acetamide
CID 94177222
5-[(3-bromo-4-methylphenyl)carbamoylamino]-3-methyl-5-oxopentanoic acid
CID 63334744
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659
N-(5-acetamido-2-methylphenyl)-2-chloropropanamide
CID 43696197
N-(5-acetamido-2-methylphenyl)-2-ethoxyacetamide
CID 61216429
5-(2,6-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 62964697
3-methyl-5-(2-methyl-4-propan-2-yloxyanilino)-5-oxopentanoic acid
CID 62966092

Frequently Asked Questions

What is the IUPAC name of 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid (CID 62964215) is 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid is CC(=O)Nc1ccc(C)c(NC(=O)CC(C)CC(=O)O)c1.
What is the InChIKey of 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid?
The InChIKey is PVFIOLBTYPMNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(7-15(20)21)6-14(19)17-13-8-12(16-11(3)18)5-4-10(13)2/h4-5,8-9H,6-7H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid?
5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid has a molecular weight of 292.34 g/mol, XLogP of 2.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetamido-2-methylanilino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62964215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).