5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid

C19H21NO5 — CID 17130914

IUPAC5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H21NO5/c21-18(11-6-12-19(22)23)20-16-9-4-5-10-17(16)25-14-13-24-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,20,21)(H,22,23)
InChIKeyGMXSDBDLVOKPDA-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.34
Rot. Bonds10

About 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid

5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid (PubChem CID 17130914) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
PubChem CID17130914
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccccc1OCCOc1ccccc1
InChIInChI=1S/C19H21NO5/c21-18(11-6-12-19(22)23)20-16-9-4-5-10-17(16)25-14-13-24-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,20,21)(H,22,23)
InChIKeyGMXSDBDLVOKPDA-UHFFFAOYSA-N
XLogP3.34
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[2-(2-phenoxyethoxy)phenyl]pentanediamide
CID 17131186
N,N'-bis[2-(2-phenoxyethoxy)phenyl]decanediamide
CID 17130993
12-[2-(4-carboxybutoxy)anilino]-12-oxododecanoic acid
CID 18796099
10-[2-(3-carboxypropoxy)anilino]-10-oxodecanoic acid
CID 18796122
14-(2-butoxyanilino)-14-oxotetradecanoic acid
CID 57100527
5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
CID 4958221
(E)-N-[2-(2-phenoxyethoxy)phenyl]pent-3-enamide
CID 47000270
11-[2-(carboxymethoxy)anilino]-11-oxoundecanoic acid
CID 18795886
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide
CID 46995681
2-(methylamino)-N-[2-(2-phenoxyethoxy)phenyl]acetamide;hydrochloride
CID 154890001
N-[2-(3-aminopropanoylamino)phenyl]-4-phenoxybutanamide
CID 82034361
N,N'-bis(2-butoxyphenyl)hexanediamide
CID 17087317

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid (CID 17130914) is 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccccc1OCCOc1ccccc1.
What is the InChIKey of 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid?
The InChIKey is GMXSDBDLVOKPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-18(11-6-12-19(22)23)20-16-9-4-5-10-17(16)25-14-13-24-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,20,21)(H,22,23).
What are the key properties of 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid?
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid has a molecular weight of 343.38 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid is sourced from PubChem (CID 17130914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).