2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid

C16H21NO5 — CID 154741966

IUPAC2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCCN(C(=O)c1cccc(OCC(=O)O)c1)C1CCCOC1
InChIInChI=1S/C16H21NO5/c1-2-17(13-6-4-8-21-10-13)16(20)12-5-3-7-14(9-12)22-11-15(18)19/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3,(H,18,19)
InChIKeyAUJIZQIKCOTYEP-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.79
Rot. Bonds6

About 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid

2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid (PubChem CID 154741966) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid
PubChem CID154741966
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Name2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid
SMILESCCN(C(=O)c1cccc(OCC(=O)O)c1)C1CCCOC1
InChIInChI=1S/C16H21NO5/c1-2-17(13-6-4-8-21-10-13)16(20)12-5-3-7-14(9-12)22-11-15(18)19/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3,(H,18,19)
InChIKeyAUJIZQIKCOTYEP-UHFFFAOYSA-N
XLogP1.79
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[methyl(oxolan-3-yl)carbamoyl]phenoxy]acetic acid
CID 120691080
2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
CID 119183937
2-[3-[cyclopropyl(2,2-difluoroethyl)carbamoyl]phenoxy]acetic acid
CID 119184539
2-[3-[(3-ethylsulfanylcyclopentyl)-methylcarbamoyl]phenoxy]acetic acid
CID 119187152
2-[3-[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]phenoxy]acetic acid
CID 119179589
N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)naphthalene-2-carboxamide
CID 97051794
N-(oxan-3-yl)-2-phenoxyacetamide
CID 142540024
3-bromo-N-cyclopropyl-N-ethylbenzamide
CID 43243353
N-cyclopentyl-N-ethyl-4-(phenoxymethyl)benzamide
CID 55587210
N-cyclopropyl-N-(2-hydroxyethyl)-3-propoxybenzamide
CID 62920027
N-cyclopropyl-N-ethyl-3-sulfanylbenzamide
CID 107022345
2-[cyclopropyl-[3-(3-methylbut-2-enoxy)benzoyl]amino]acetic acid
CID 119195282

Frequently Asked Questions

What is the IUPAC name of 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid (CID 154741966) is 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid is CCN(C(=O)c1cccc(OCC(=O)O)c1)C1CCCOC1.
What is the InChIKey of 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid?
The InChIKey is AUJIZQIKCOTYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO5/c1-2-17(13-6-4-8-21-10-13)16(20)12-5-3-7-14(9-12)22-11-15(18)19/h3,5,7,9,13H,2,4,6,8,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid?
2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid has a molecular weight of 307.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[ethyl(oxan-3-yl)carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 154741966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).