2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid

C17H17NO5 — CID 2898320

IUPAC2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H17NO5/c1-12(23-15-5-3-2-4-6-15)17(21)18-13-7-9-14(10-8-13)22-11-16(19)20/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyVLSIQIOHIRWTTR-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.56
Rot. Bonds7

About 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid

2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid (PubChem CID 2898320) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
PubChem CID2898320
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C17H17NO5/c1-12(23-15-5-3-2-4-6-15)17(21)18-13-7-9-14(10-8-13)22-11-16(19)20/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20)
InChIKeyVLSIQIOHIRWTTR-UHFFFAOYSA-N
XLogP2.56
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxypropanoylamino)phenoxy]acetic acid
CID 112640150
2-phenoxy-N-(4-prop-2-enoxyphenyl)propanamide
CID 4952534
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
(2S)-N-[4-(2-amino-2-oxoethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 94093464
2-(4-chlorophenoxy)-N-[4-(2-phenoxyethoxy)phenyl]propanamide
CID 4958215
2-phenoxy-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 17066974
N-[4-(2-methylprop-2-enoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17097694
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
4-[[(2S)-2-phenoxypropanoyl]amino]benzoic acid
CID 1365740
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537
2-[4-[2-(methylamino)propanoylamino]phenoxy]acetic acid
CID 63745547

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid (CID 2898320) is 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid is CC(Oc1ccccc1)C(=O)Nc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
The InChIKey is VLSIQIOHIRWTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-12(23-15-5-3-2-4-6-15)17(21)18-13-7-9-14(10-8-13)22-11-16(19)20/h2-10,12H,11H2,1H3,(H,18,21)(H,19,20).
What are the key properties of 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid?
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid has a molecular weight of 315.33 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid is sourced from PubChem (CID 2898320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).