6-(4-methoxyanilino)-6-oxohexanoic acid

C13H17NO4 — CID 19422065

IUPAC6-(4-methoxyanilino)-6-oxohexanoic acid
SMILESCOc1ccc(NC(=O)CCCCC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-18-11-8-6-10(7-9-11)14-12(15)4-2-3-5-13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyRQQTZXUOGXFEQS-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.28
Rot. Bonds7

About 6-(4-methoxyanilino)-6-oxohexanoic acid

6-(4-methoxyanilino)-6-oxohexanoic acid (PubChem CID 19422065) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 6-(4-methoxyanilino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(4-methoxyanilino)-6-oxohexanoic acid
PubChem CID19422065
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name6-(4-methoxyanilino)-6-oxohexanoic acid
SMILESCOc1ccc(NC(=O)CCCCC(=O)O)cc1
InChIInChI=1S/C13H17NO4/c1-18-11-8-6-10(7-9-11)14-12(15)4-2-3-5-13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyRQQTZXUOGXFEQS-UHFFFAOYSA-N
XLogP2.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
11-bromo-N-(4-methoxyphenyl)undecanamide
CID 51058288
N-(4-methoxyphenyl)-6-oxooctanamide
CID 15388979
5-(4-butoxyanilino)-5-oxopentanoic acid
CID 4939768
5-[4-(4-methoxyphenoxy)anilino]-5-oxopentanoate
CID 6953047
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
4-(4-methoxyanilino)-4-oxobutanoyl chloride
CID 82041607
8-hydroxy-8-(4-methoxyphenoxy)-N-(4-methoxyphenyl)octanamide
CID 163487525
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
6-oxo-6-(4-sulfanylanilino)hexanoic acid
CID 139939209
N-(4-methoxyphenyl)-6-propan-2-ylsulfonylhexanamide
CID 58145182

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyanilino)-6-oxohexanoic acid?
The IUPAC name of 6-(4-methoxyanilino)-6-oxohexanoic acid (CID 19422065) is 6-(4-methoxyanilino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(4-methoxyanilino)-6-oxohexanoic acid?
The canonical SMILES for 6-(4-methoxyanilino)-6-oxohexanoic acid is COc1ccc(NC(=O)CCCCC(=O)O)cc1.
What is the InChIKey of 6-(4-methoxyanilino)-6-oxohexanoic acid?
The InChIKey is RQQTZXUOGXFEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-18-11-8-6-10(7-9-11)14-12(15)4-2-3-5-13(16)17/h6-9H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 6-(4-methoxyanilino)-6-oxohexanoic acid?
6-(4-methoxyanilino)-6-oxohexanoic acid has a molecular weight of 251.28 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyanilino)-6-oxohexanoic acid is sourced from PubChem (CID 19422065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).