2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid

C15H21NO4 — CID 79806703

IUPAC2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C15H21NO4/c1-5-15(6-2,14(18)19)16-13(17)11-9-10(3)7-8-12(11)20-4/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKMGLPZADVNXRTG-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.38
Rot. Bonds6

About 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid

2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid (PubChem CID 79806703) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
PubChem CID79806703
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)c1cc(C)ccc1OC)C(=O)O
InChIInChI=1S/C15H21NO4/c1-5-15(6-2,14(18)19)16-13(17)11-9-10(3)7-8-12(11)20-4/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyKMGLPZADVNXRTG-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
CID 174324695
N-(1-bromo-2-methylbutan-2-yl)-2-methoxy-5-methylbenzamide
CID 113275633
2-[(3-bromo-4-methoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79807070
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
CID 103843624
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2-methoxy-5-methylbenzamide
CID 62504212
N-[(2R)-1-amino-1-oxo-2-phenylpropan-2-yl]-2-methoxy-5-methylbenzamide
CID 97236307
2-[(2-ethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79806934
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
5-amino-2-methoxy-N-(2-methylbutan-2-yl)benzamide
CID 61091450
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid (CID 79806703) is 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid is CCC(CC)(NC(=O)c1cc(C)ccc1OC)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid?
The InChIKey is KMGLPZADVNXRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-5-15(6-2,14(18)19)16-13(17)11-9-10(3)7-8-12(11)20-4/h7-9H,5-6H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid?
2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 79806703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).