2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid

C16H21NO6 — CID 122135254

IUPAC2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC2CCOCC2)ccc1OCC(=O)O
InChIInChI=1S/C16H21NO6/c1-2-22-14-9-11(3-4-13(14)23-10-15(18)19)16(20)17-12-5-7-21-8-6-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyOXZIEPPPGDYOCW-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.46
Rot. Bonds7

About 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid

2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid (PubChem CID 122135254) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
PubChem CID122135254
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid
SMILESCCOc1cc(C(=O)NC2CCOCC2)ccc1OCC(=O)O
InChIInChI=1S/C16H21NO6/c1-2-22-14-9-11(3-4-13(14)23-10-15(18)19)16(20)17-12-5-7-21-8-6-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,17,20)(H,18,19)
InChIKeyOXZIEPPPGDYOCW-UHFFFAOYSA-N
XLogP1.46
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
2-[2-ethoxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]phenoxy]acetic acid
CID 119185113
2-[2-ethoxy-4-[2-(oxolan-2-yl)ethylcarbamoyl]phenoxy]acetic acid
CID 119180117
2-[4-[[(1R,5R,6R)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 125132804
cis-(1S,3R)-3-[(3,4-diethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120674848
2-[4-(cyclohexylmethylcarbamoyl)-2-ethoxyphenoxy]acetic acid
CID 119179211
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
2-[2-ethoxy-4-(propan-2-ylcarbamoyl)phenoxy]acetic acid
CID 119179061
2-[2-ethoxy-4-[[(3R)-1-[(1S,2S)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]carbamoyl]phenoxy]acetic acid
CID 125148297
2-[2-ethoxy-4-(2-methylpropylcarbamoyl)phenoxy]acetic acid
CID 119179235

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid (CID 122135254) is 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid is CCOc1cc(C(=O)NC2CCOCC2)ccc1OCC(=O)O.
What is the InChIKey of 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid?
The InChIKey is OXZIEPPPGDYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-2-22-14-9-11(3-4-13(14)23-10-15(18)19)16(20)17-12-5-7-21-8-6-12/h3-4,9,12H,2,5-8,10H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid?
2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid has a molecular weight of 323.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-(oxan-4-ylcarbamoyl)phenoxy]acetic acid is sourced from PubChem (CID 122135254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).