5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid

C14H18N2O4 — CID 60941385

IUPAC5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESCNC(=O)c1ccc(C)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-9-6-7-10(14(20)15-2)8-11(9)16-12(17)4-3-5-13(18)19/h6-8H,3-5H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyLGJDVYODOWHIPE-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.55
Rot. Bonds6

About 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid

5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid (PubChem CID 60941385) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
PubChem CID60941385
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
SMILESCNC(=O)c1ccc(C)c(NC(=O)CCCC(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-9-6-7-10(14(20)15-2)8-11(9)16-12(17)4-3-5-13(18)19/h6-8H,3-5H2,1-2H3,(H,15,20)(H,16,17)(H,18,19)
InChIKeyLGJDVYODOWHIPE-UHFFFAOYSA-N
XLogP1.55
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-hydroxypentanoylamino)-N,4-dimethylbenzamide
CID 79199583
4-[2-methyl-4-(methylcarbamoyl)anilino]-4-oxobutanoic acid
CID 54868212
3-[(2-aminoacetyl)amino]-N,4-dimethylbenzamide
CID 43711940
3-methyl-5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid
CID 62963858
5-(2-methyl-5-propan-2-ylanilino)-5-oxopentanoic acid
CID 115163810
N,4-dimethyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 43073786
N,4-dimethyl-3-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 79285015
4-(4-carboxybutanoylamino)-3-methylbenzoic acid
CID 2223782
3-(3-aminobutanoylamino)-N,4-dimethylbenzamide
CID 60843540
3-benzamido-N,4-dimethylbenzamide
CID 17226324
3-(5-chloropentanoylamino)-4-methylbenzoic acid
CID 43700873
4-methyl-3-(octadecanoylamino)benzoic acid
CID 12800027

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid (CID 60941385) is 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid is CNC(=O)c1ccc(C)c(NC(=O)CCCC(=O)O)c1.
What is the InChIKey of 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
The InChIKey is LGJDVYODOWHIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-6-7-10(14(20)15-2)8-11(9)16-12(17)4-3-5-13(18)19/h6-8H,3-5H2,1-2H3,(H,15,20)(H,16,17)(H,18,19).
What are the key properties of 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid?
5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid has a molecular weight of 278.31 g/mol, XLogP of 1.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-5-(methylcarbamoyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 60941385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).