2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid

C20H22FNO6 — CID 119182029

IUPAC2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)COc2cccc(F)c2)ccc1OCC(=O)O
InChIInChI=1S/C20H22FNO6/c1-3-26-18-9-14(7-8-17(18)28-12-19(23)24)20(25)22-13(2)11-27-16-6-4-5-15(21)10-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyHTZIKPNVNSVOJL-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.89
Rot. Bonds10

About 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid (PubChem CID 119182029) has the molecular formula C20H22FNO6 and a molecular weight of 391.40 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
PubChem CID119182029
Molecular FormulaC20H22FNO6
Molecular Weight391.40 g/mol
Exact Mass391.14
IUPAC Name2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC(C)COc2cccc(F)c2)ccc1OCC(=O)O
InChIInChI=1S/C20H22FNO6/c1-3-26-18-9-14(7-8-17(18)28-12-19(23)24)20(25)22-13(2)11-27-16-6-4-5-15(21)10-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyHTZIKPNVNSVOJL-UHFFFAOYSA-N
XLogP2.89
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119185987
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
2-[2-ethoxy-4-[[(2S)-3-methoxybutan-2-yl]carbamoyl]phenoxy]acetic acid
CID 120700652
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235
3,4-diethoxy-N-[(2S)-4-methylpentan-2-yl]benzamide
CID 59910538
2-[4-[[1-(tert-butylamino)-1-oxopropan-2-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119182578
3,4-diethoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 798797
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
2-[2-ethoxy-4-(3-methylbutanoyl)phenoxy]acetic acid
CID 154190033
N-[1-(2,4-difluorophenyl)ethyl]-3,4-diethoxybenzamide
CID 112763849

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid (CID 119182029) is 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NC(C)COc2cccc(F)c2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid?
The InChIKey is HTZIKPNVNSVOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO6/c1-3-26-18-9-14(7-8-17(18)28-12-19(23)24)20(25)22-13(2)11-27-16-6-4-5-15(21)10-16/h4-10,13H,3,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid has a molecular weight of 391.40 g/mol, XLogP of 2.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[1-(3-fluorophenoxy)propan-2-ylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119182029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).