6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid

C17H25NO4 — CID 120686933

IUPAC6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
SMILESCCC(C(=O)NCCCCCC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO4/c1-3-15(13-8-10-14(22-2)11-9-13)17(21)18-12-6-4-5-7-16(19)20/h8-11,15H,3-7,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUYVZQAZZKRIWKS-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.95
Rot. Bonds10

About 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid

6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid (PubChem CID 120686933) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid.

Molecular Properties

Compound Name6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
PubChem CID120686933
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid
SMILESCCC(C(=O)NCCCCCC(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C17H25NO4/c1-3-15(13-8-10-14(22-2)11-9-13)17(21)18-12-6-4-5-7-16(19)20/h8-11,15H,3-7,12H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUYVZQAZZKRIWKS-UHFFFAOYSA-N
XLogP2.95
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.95
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

4-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120513410
(Z)-12,13-bis(4-methoxyphenyl)pentadec-11-enoic acid
CID 18955970
4-[3-(4-methoxyphenyl)pentanoylamino]butanoic acid
CID 120684451
4-[1-(4-methoxyphenyl)propylamino]butanoic acid
CID 54920949
6-[(4-methoxybenzenecarbothioyl)amino]hexanoic acid
CID 5303098
5-[[2-(4-methoxyphenyl)sulfanylacetyl]amino]pentanoic acid
CID 62032850
7-[2-(3-methoxyphenyl)propanoylamino]heptanoic acid
CID 119350863
6-[[(Z)-2-cyano-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enoyl]amino]hexanoic acid
CID 108845124
4-[2-(4-methoxyphenyl)butanoylamino]-5-phenylpentanoic acid
CID 120690192
7-[[(2R)-2-methoxy-2-phenylacetyl]amino]heptanoic acid
CID 120687217
6-[(2-methoxy-2-phenylacetyl)amino]hexanoic acid
CID 62034774
2-[2-(4-methoxyphenyl)butanoylamino]-2-methylbutanoic acid
CID 120686275

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid?
The IUPAC name of 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid (CID 120686933) is 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid.
What is the SMILES notation for 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid?
The canonical SMILES for 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid is CCC(C(=O)NCCCCCC(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid?
The InChIKey is UYVZQAZZKRIWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c1-3-15(13-8-10-14(22-2)11-9-13)17(21)18-12-6-4-5-7-16(19)20/h8-11,15H,3-7,12H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid?
6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.95, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methoxyphenyl)butanoylamino]hexanoic acid is sourced from PubChem (CID 120686933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).