2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid

C17H23F2NO4 — CID 120533300

IUPAC2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)NCC(CC)(CC)C(=O)O
InChIInChI=1S/C17H23F2NO4/c1-4-16(5-2,15(22)23)11-20-14(21)17(18,19)12-9-7-8-10-13(12)24-6-3/h7-10H,4-6,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyOVWCVYSLJHJAQN-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.18
Rot. Bonds9

About 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid

2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid (PubChem CID 120533300) has the molecular formula C17H23F2NO4 and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid
PubChem CID120533300
Molecular FormulaC17H23F2NO4
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid
SMILESCCOc1ccccc1C(F)(F)C(=O)NCC(CC)(CC)C(=O)O
InChIInChI=1S/C17H23F2NO4/c1-4-16(5-2,15(22)23)11-20-14(21)17(18,19)12-9-7-8-10-13(12)24-6-3/h7-10H,4-6,11H2,1-3H3,(H,20,21)(H,22,23)
InChIKeyOVWCVYSLJHJAQN-UHFFFAOYSA-N
XLogP3.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethylsulfanyl]acetic acid
CID 120526528
3-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]benzoic acid
CID 120535496
2-[4-[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]ethyl]phenoxy]acetic acid
CID 120529017
(2S)-2-[[2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120695347
2-[3-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]pyrazol-1-yl]acetic acid
CID 120524685
2-[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]-ethylamino]acetic acid
CID 120519752
1-ethoxy-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzene
CID 139967229
2-(2-ethoxyphenyl)-2-(propylamino)propanoic acid
CID 43754018
2-(2-ethoxyphenoxy)-2-methylbutanoic acid
CID 114990551
3-(2-ethoxyphenyl)-3-methylbutanoic acid
CID 81003890
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9286510

Frequently Asked Questions

What is the IUPAC name of 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid?
The IUPAC name of 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid (CID 120533300) is 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid?
The canonical SMILES for 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid is CCOc1ccccc1C(F)(F)C(=O)NCC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid?
The InChIKey is OVWCVYSLJHJAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO4/c1-4-16(5-2,15(22)23)11-20-14(21)17(18,19)12-9-7-8-10-13(12)24-6-3/h7-10H,4-6,11H2,1-3H3,(H,20,21)(H,22,23).
What are the key properties of 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid?
2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid has a molecular weight of 343.37 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-(2-ethoxyphenyl)-2,2-difluoroacetyl]amino]methyl]-2-ethylbutanoic acid is sourced from PubChem (CID 120533300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).