6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid

C15H20N2O4 — CID 60940913

IUPAC6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
SMILESCNC(=O)c1cccc(NC(=O)CCCCC(=O)O)c1C
InChIInChI=1S/C15H20N2O4/c1-10-11(15(21)16-2)6-5-7-12(10)17-13(18)8-3-4-9-14(19)20/h5-7H,3-4,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyMMUQPWCVZDLRFH-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.94
Rot. Bonds7

About 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid

6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid (PubChem CID 60940913) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
PubChem CID60940913
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid
SMILESCNC(=O)c1cccc(NC(=O)CCCCC(=O)O)c1C
InChIInChI=1S/C15H20N2O4/c1-10-11(15(21)16-2)6-5-7-12(10)17-13(18)8-3-4-9-14(19)20/h5-7H,3-4,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyMMUQPWCVZDLRFH-UHFFFAOYSA-N
XLogP1.94
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
2-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethoxy]acetic acid
CID 61329614
3-[3-(ethylamino)propanoylamino]-N,2-dimethylbenzamide
CID 62835659
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
3-(hept-6-ynoylamino)-2-methylbenzoic acid
CID 114028502
N,2-dimethyl-3-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 47029177
2-(4-chlorobutanoylamino)-N-methylbenzamide
CID 17161020
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
3-[(2-carboxyacetyl)amino]-2-methylbenzoic acid
CID 62231492
methyl 2-methyl-3-[4-(methylamino)butanoylamino]benzoate
CID 54924912
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
3-[[2-(cyclopentanecarbonylamino)acetyl]amino]-N,2-dimethylbenzamide
CID 46434201

Frequently Asked Questions

What is the IUPAC name of 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid?
The IUPAC name of 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid (CID 60940913) is 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid?
The canonical SMILES for 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid is CNC(=O)c1cccc(NC(=O)CCCCC(=O)O)c1C.
What is the InChIKey of 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid?
The InChIKey is MMUQPWCVZDLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-11(15(21)16-2)6-5-7-12(10)17-13(18)8-3-4-9-14(19)20/h5-7H,3-4,8-9H2,1-2H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid?
6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid has a molecular weight of 292.34 g/mol, XLogP of 1.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-methyl-3-(methylcarbamoyl)anilino]-6-oxohexanoic acid is sourced from PubChem (CID 60940913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).