5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid

C19H21NO5 — CID 4958221

IUPAC5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c21-18(7-4-8-19(22)23)20-15-9-11-17(12-10-15)25-14-13-24-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,20,21)(H,22,23)
InChIKeyOJEGGDCOFYHRSC-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.34
Rot. Bonds10

About 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid

5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid (PubChem CID 4958221) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid.

Molecular Properties

Compound Name5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
PubChem CID4958221
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(OCCOc2ccccc2)cc1
InChIInChI=1S/C19H21NO5/c21-18(7-4-8-19(22)23)20-15-9-11-17(12-10-15)25-14-13-24-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,20,21)(H,22,23)
InChIKeyOJEGGDCOFYHRSC-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

5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
5-(4-hexoxyanilino)-5-oxopentanoic acid
CID 4939430
3-phenoxy-N-(4-phenoxyphenyl)propanamide
CID 108795457
5-oxo-5-[2-(2-phenoxyethoxy)anilino]pentanoic acid
CID 17130914
N-[4-(difluoromethoxy)phenyl]-4-phenoxybutanamide
CID 112793225
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
4-(4-fluorophenoxy)-N-phenylbutanamide
CID 60723715
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[4-(methanesulfonamido)phenyl]-4-phenoxybutanamide
CID 30784558
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091

Frequently Asked Questions

What is the IUPAC name of 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid?
The IUPAC name of 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid (CID 4958221) is 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid.
What is the SMILES notation for 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid?
The canonical SMILES for 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid is O=C(O)CCCC(=O)Nc1ccc(OCCOc2ccccc2)cc1.
What is the InChIKey of 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid?
The InChIKey is OJEGGDCOFYHRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c21-18(7-4-8-19(22)23)20-15-9-11-17(12-10-15)25-14-13-24-16-5-2-1-3-6-16/h1-3,5-6,9-12H,4,7-8,13-14H2,(H,20,21)(H,22,23).
What are the key properties of 5-oxo-5-[4-(2-phenoxyethoxy)anilino]pentanoic acid?
5-oxo-5-[4-(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-[4-(2-phenoxyethoxy)anilino]pentanoic acid is sourced from PubChem (CID 4958221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).