2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid

C16H21NO6 — CID 119224790

IUPAC2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CCOCC2CCCO2)c1
InChIInChI=1S/C16H21NO6/c18-15(6-8-21-10-14-5-2-7-22-14)17-12-3-1-4-13(9-12)23-11-16(19)20/h1,3-4,9,14H,2,5-8,10-11H2,(H,17,18)(H,19,20)
InChIKeyLZJJLWQYZPRMOR-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.67
Rot. Bonds9

About 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid

2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid (PubChem CID 119224790) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
PubChem CID119224790
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(NC(=O)CCOCC2CCCO2)c1
InChIInChI=1S/C16H21NO6/c18-15(6-8-21-10-14-5-2-7-22-14)17-12-3-1-4-13(9-12)23-11-16(19)20/h1,3-4,9,14H,2,5-8,10-11H2,(H,17,18)(H,19,20)
InChIKeyLZJJLWQYZPRMOR-UHFFFAOYSA-N
XLogP1.67
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
2-(4-chlorophenoxy)-N-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 41444851
3-(4-fluorophenyl)sulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 46802916
2-(ethylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54820938
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
2-(3-nitrophenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 46411615
N-[3-(oxolan-2-ylmethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
CID 46449164
2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810968
2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-[3-(2-aminoethoxy)phenyl]-2-(oxolan-2-yl)acetamide
CID 65152316

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid (CID 119224790) is 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid is O=C(O)COc1cccc(NC(=O)CCOCC2CCCO2)c1.
What is the InChIKey of 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid?
The InChIKey is LZJJLWQYZPRMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c18-15(6-8-21-10-14-5-2-7-22-14)17-12-3-1-4-13(9-12)23-11-16(19)20/h1,3-4,9,14H,2,5-8,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid?
2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid has a molecular weight of 323.35 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(oxolan-2-ylmethoxy)propanoylamino]phenoxy]acetic acid is sourced from PubChem (CID 119224790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).