2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid

C16H23NO4 — CID 115429627

IUPAC2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)COc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-4-16(5-2,15(19)20)11-17-14(18)10-21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyPIRWLZSBZHCXCN-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.38
Rot. Bonds8

About 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid

2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid (PubChem CID 115429627) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid
PubChem CID115429627
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid
SMILESCCC(CC)(CNC(=O)COc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C16H23NO4/c1-4-16(5-2,15(19)20)11-17-14(18)10-21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyPIRWLZSBZHCXCN-UHFFFAOYSA-N
XLogP2.38
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-methyl-4-[[2-(4-methylphenoxy)acetyl]amino]butanoic acid
CID 66003112
N-(2-methylbutan-2-yl)-2-(4-methylphenoxy)acetamide
CID 50944675
N-[2-(4-methoxyphenyl)-2-methylpropyl]-2-(4-methylphenoxy)acetamide
CID 113090463
N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 4635692
N-(2-hydroxy-2-methylbutyl)-2-phenoxyacetamide
CID 65114465
2-[4-(2-methylbutan-2-yl)phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 46761744
N-(2-chloroprop-2-enyl)-2-(4-methylphenoxy)acetamide
CID 115636840
2-(4-chlorophenoxy)-N-(2-ethyl-2-hydroxybutyl)acetamide
CID 65113681
3-[[[2-(4-methylphenoxy)acetyl]amino]methyl]pentanoic acid
CID 81065403
N-(3-acetamidopropyl)-2-(4-methylphenoxy)acetamide
CID 110292109
2-(4-methylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726206
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-(4-methylphenoxy)acetamide
CID 121085820

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid (CID 115429627) is 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid is CCC(CC)(CNC(=O)COc1ccc(C)cc1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid?
The InChIKey is PIRWLZSBZHCXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-4-16(5-2,15(19)20)11-17-14(18)10-21-13-8-6-12(3)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid?
2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[[2-(4-methylphenoxy)acetyl]amino]methyl]butanoic acid is sourced from PubChem (CID 115429627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).