2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid

C19H23NO4 — CID 67648973

IUPAC2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
SMILESCC(N)(CCCCOc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-19(20,18(21)22)13-5-6-14-23-15-9-11-17(12-10-15)24-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14,20H2,1H3,(H,21,22)
InChIKeyUMAUQKWTNPEUSW-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.83
Rot. Bonds9

About 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid

2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid (PubChem CID 67648973) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
PubChem CID67648973
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid
SMILESCC(N)(CCCCOc1ccc(Oc2ccccc2)cc1)C(=O)O
InChIInChI=1S/C19H23NO4/c1-19(20,18(21)22)13-5-6-14-23-15-9-11-17(12-10-15)24-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14,20H2,1H3,(H,21,22)
InChIKeyUMAUQKWTNPEUSW-UHFFFAOYSA-N
XLogP3.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic 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-amino-6-(2,6-difluorophenoxy)-2-methylhexanoic acid
CID 81269489
2-amino-2-methyl-6-phenoxyhexan-1-ol
CID 64803768
ethyl 3-(4-phenoxyphenoxy)propyl carbonate
CID 10358376
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
5-(4-phenoxyphenoxy)pentan-1-ol
CID 62229008
2,2-dimethyl-3-(2-phenoxyethoxy)propanoic acid
CID 79623125
2-methyl-2-(4-phenoxybutylsulfanyl)propanoic acid
CID 82180704
6-(4-iodophenoxy)-2,2-dimethylhexanoic acid
CID 106714309
butyl 2,2-dimethyl-5-phenoxypentanoate
CID 163881826
2-amino-6-(4-butylphenoxy)-2-methylhexanamide
CID 115493137
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
acetic acid;butoxybenzene
CID 162338086

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid?
The IUPAC name of 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid (CID 67648973) is 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid.
What is the SMILES notation for 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid?
The canonical SMILES for 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid is CC(N)(CCCCOc1ccc(Oc2ccccc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid?
The InChIKey is UMAUQKWTNPEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-19(20,18(21)22)13-5-6-14-23-15-9-11-17(12-10-15)24-16-7-3-2-4-8-16/h2-4,7-12H,5-6,13-14,20H2,1H3,(H,21,22).
What are the key properties of 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid?
2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid has a molecular weight of 329.40 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-6-(4-phenoxyphenoxy)hexanoic acid is sourced from PubChem (CID 67648973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).