2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid

C17H23NO6 — CID 119180117

IUPAC2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCCC2CCCO2)ccc1OCC(=O)O
InChIInChI=1S/C17H23NO6/c1-2-22-15-10-12(5-6-14(15)24-11-16(19)20)17(21)18-8-7-13-4-3-9-23-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyTZJDNGKBSMPUHP-UHFFFAOYSA-N
MW337.37 g/mol
LogP1.85
Rot. Bonds9

About 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid

2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid (PubChem CID 119180117) has the molecular formula C17H23NO6 and a molecular weight of 337.37 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
PubChem CID119180117
Molecular FormulaC17H23NO6
Molecular Weight337.37 g/mol
Exact Mass337.15
IUPAC Name2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NCCC2CCCO2)ccc1OCC(=O)O
InChIInChI=1S/C17H23NO6/c1-2-22-15-10-12(5-6-14(15)24-11-16(19)20)17(21)18-8-7-13-4-3-9-23-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyTZJDNGKBSMPUHP-UHFFFAOYSA-N
XLogP1.85
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-ethoxy-4-[ethyl(oxolan-2-ylmethyl)carbamoyl]phenoxy]acetic acid
CID 119182463
2-[4-[[(2R,3R)-2-tert-butyloxan-3-yl]methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 125153084
2-[4-[(2-tert-butyloxan-3-yl)methylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119186015
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
CID 122135254
3-ethoxy-4-[3-(oxolan-2-yl)propoxy]benzoic acid
CID 65161179
2-[4-[[3-(dimethylamino)-3-oxopropyl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119181430
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
3-methyl-4-(methylamino)-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 55164039
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid (CID 119180117) is 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid is CCOc1cc(C(=O)NCCC2CCCO2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
The InChIKey is TZJDNGKBSMPUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO6/c1-2-22-15-10-12(5-6-14(15)24-11-16(19)20)17(21)18-8-7-13-4-3-9-23-13/h5-6,10,13H,2-4,7-9,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid?
2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid has a molecular weight of 337.37 g/mol, XLogP of 1.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 119180117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).