2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid

C16H23NO4 — CID 43467461

IUPAC2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCCOc1ccc(CC(=O)NC(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-21-12-8-6-11(7-9-12)10-13(18)17-14(15(19)20)16(2,3)4/h6-9,14H,5,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeySNXBROHOCYQENL-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.24
Rot. Bonds6

About 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid

2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid (PubChem CID 43467461) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
PubChem CID43467461
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid
SMILESCCOc1ccc(CC(=O)NC(C(=O)O)C(C)(C)C)cc1
InChIInChI=1S/C16H23NO4/c1-5-21-12-8-6-11(7-9-12)10-13(18)17-14(15(19)20)16(2,3)4/h6-9,14H,5,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeySNXBROHOCYQENL-UHFFFAOYSA-N
XLogP2.24
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467961
(2R)-2-[[2-(4-fluorophenyl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 103926387
(2R)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylsulfanylpropanoic acid
CID 122560884
(2S)-2-[[2-(4-ethoxyphenyl)acetyl]amino]-3-methylpentanoic acid
CID 61172923
2-[[2-(4-ethoxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61261354
N-benzhydryl-2-(4-ethoxyphenyl)acetamide
CID 26735218
(2S)-4-amino-2-[[2-(4-ethoxyphenyl)acetyl]amino]-4-oxobutanoic acid
CID 61141581
2-(4-ethoxyphenyl)-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884327
2-(4-ethoxyphenyl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103750718
(2S)-2-[3-(4-ethylphenyl)propanoylamino]-3,3-dimethylbutanoic acid
CID 61144373
2-(4-ethoxyphenyl)-N-(2-hydroxy-2-methylbutyl)acetamide
CID 65114746
N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-phenylacetamide
CID 880798

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid (CID 43467461) is 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid is CCOc1ccc(CC(=O)NC(C(=O)O)C(C)(C)C)cc1.
What is the InChIKey of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
The InChIKey is SNXBROHOCYQENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-21-12-8-6-11(7-9-12)10-13(18)17-14(15(19)20)16(2,3)4/h6-9,14H,5,10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid?
2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethoxyphenyl)acetyl]amino]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43467461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).