2-(2-methoxyanilino)-2-propylpentanoic acid

C15H23NO3 — CID 60993872

IUPAC2-(2-methoxyanilino)-2-propylpentanoic acid
SMILESCCCC(CCC)(Nc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-10-15(11-5-2,14(17)18)16-12-8-6-7-9-13(12)19-3/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyYMSNXZFBANVWIB-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.53
Rot. Bonds8

About 2-(2-methoxyanilino)-2-propylpentanoic acid

2-(2-methoxyanilino)-2-propylpentanoic acid (PubChem CID 60993872) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-2-propylpentanoic acid.

Molecular Properties

Compound Name2-(2-methoxyanilino)-2-propylpentanoic acid
PubChem CID60993872
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(2-methoxyanilino)-2-propylpentanoic acid
SMILESCCCC(CCC)(Nc1ccccc1OC)C(=O)O
InChIInChI=1S/C15H23NO3/c1-4-10-15(11-5-2,14(17)18)16-12-8-6-7-9-13(12)19-3/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyYMSNXZFBANVWIB-UHFFFAOYSA-N
XLogP3.53
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-methoxyanilino)-2-propylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethyl-2-(2-methoxyanilino)pentanoic acid
CID 114079646
2-(2-methoxyanilino)-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 114868127
methyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890267
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
methyl 2-(2-fluoroanilino)-2-propylpentanoate
CID 54890183
methyl 2-ethyl-2-(2-methoxyanilino)-4-methylhexanoate
CID 60993162
2-ethyl-2-(2-methoxyanilino)butan-1-ol
CID 61049290
ethyl 2-(2-methoxyanilino)-2-phenylacetate
CID 13004503
N-(2-methoxyphenyl)-2,2,2-triphenylacetamide
CID 11188554
2-(2-methoxyanilino)-2-methylnonan-1-ol
CID 61050086
(2S)-2-(2-methoxyanilino)pentanoic acid
CID 40788460
2-[[2-(2-methoxyphenyl)acetyl]amino]-2-methylpentanoic acid
CID 43618494

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-2-propylpentanoic acid?
The IUPAC name of 2-(2-methoxyanilino)-2-propylpentanoic acid (CID 60993872) is 2-(2-methoxyanilino)-2-propylpentanoic acid.
What is the SMILES notation for 2-(2-methoxyanilino)-2-propylpentanoic acid?
The canonical SMILES for 2-(2-methoxyanilino)-2-propylpentanoic acid is CCCC(CCC)(Nc1ccccc1OC)C(=O)O.
What is the InChIKey of 2-(2-methoxyanilino)-2-propylpentanoic acid?
The InChIKey is YMSNXZFBANVWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-10-15(11-5-2,14(17)18)16-12-8-6-7-9-13(12)19-3/h6-9,16H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-methoxyanilino)-2-propylpentanoic acid?
2-(2-methoxyanilino)-2-propylpentanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-2-propylpentanoic acid is sourced from PubChem (CID 60993872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).