2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid

C16H23NO4 — CID 54464746

IUPAC2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cc1ccc(OC)cc1C)C(=O)O
InChIInChI=1S/C16H23NO4/c1-5-16(6-2,15(19)20)17-14(18)10-12-7-8-13(21-4)9-11(12)3/h7-9H,5-6,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyXEAYIBQBAFJJCD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.31
Rot. Bonds7

About 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid

2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid (PubChem CID 54464746) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
PubChem CID54464746
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
SMILESCCC(CC)(NC(=O)Cc1ccc(OC)cc1C)C(=O)O
InChIInChI=1S/C16H23NO4/c1-5-16(6-2,15(19)20)17-14(18)10-12-7-8-13(21-4)9-11(12)3/h7-9H,5-6,10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyXEAYIBQBAFJJCD-UHFFFAOYSA-N
XLogP2.31
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

methyl 2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]-2-methylpropanoate
CID 70239669
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79814147
2-ethyl-2-[[2-(2-methoxy-4,6-dimethylphenyl)acetyl]amino]butanoic acid
CID 22112016
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
ethane;1-ethyl-4-methoxy-2-methylbenzene
CID 142129466
carbanide;1-ethyl-4-methoxy-2-methylbenzene;yttrium
CID 161093717
3-[[2-(2,5-dimethoxyphenyl)acetyl]amino]-3-ethylpentanoic acid
CID 120688752
2-ethyl-2-[[2-(3-hydroxyphenyl)acetyl]amino]butanoic acid
CID 79806517
methyl 1-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]cyclooctane-1-carboxylate
CID 54486368
2-(4-methoxy-2-methylphenyl)-N-(5-methoxy-1-methylpyrazol-3-yl)acetamide
CID 138027048
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 107845955

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid (CID 54464746) is 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid is CCC(CC)(NC(=O)Cc1ccc(OC)cc1C)C(=O)O.
What is the InChIKey of 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid?
The InChIKey is XEAYIBQBAFJJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-16(6-2,15(19)20)17-14(18)10-12-7-8-13(21-4)9-11(12)3/h7-9H,5-6,10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid?
2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid has a molecular weight of 293.36 g/mol, XLogP of 2.31, 7 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-methoxy-2-methylphenyl)acetyl]amino]butanoic acid is sourced from PubChem (CID 54464746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).