3-(3-acetamidopropyl)undecanoic acid

C16H31NO3 — CID 21259482

IUPAC3-(3-acetamidopropyl)undecanoic acid
SMILESCCCCCCCCC(CCCNC(C)=O)CC(=O)O
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-10-15(13-16(19)20)11-9-12-17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCEEZJBRRVUASIP-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.74
Rot. Bonds13

About 3-(3-acetamidopropyl)undecanoic acid

3-(3-acetamidopropyl)undecanoic acid (PubChem CID 21259482) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-(3-acetamidopropyl)undecanoic acid.

Molecular Properties

Compound Name3-(3-acetamidopropyl)undecanoic acid
PubChem CID21259482
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name3-(3-acetamidopropyl)undecanoic acid
SMILESCCCCCCCCC(CCCNC(C)=O)CC(=O)O
InChIInChI=1S/C16H31NO3/c1-3-4-5-6-7-8-10-15(13-16(19)20)11-9-12-17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyCEEZJBRRVUASIP-UHFFFAOYSA-N
XLogP3.74
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-tetradecyloctadecanoic acid
CID 18954670
3-heptylpentanedioic acid
CID 14574131
2-(3-acetamidopropyl)dodecanoic acid
CID 21259261
3-(2-acetamidoethyl)dodecanoate
CID 21259265
3-(2-hydroxyethyl)nonanoic acid
CID 87790478
(3S)-3-(hydroxymethyl)decanoic acid
CID 88616770
3-ethylhexadecanoic acid
CID 14298660
N-pentadecylacetamide
CID 12009452
N-nonadecylacetamide
CID 54574805
N-hexylacetamide
CID 24129
3-(3-aminopropyl)decanoic acid
CID 21259292
hexane-2,5-diol;3-hexylundecanoic acid
CID 87784320

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidopropyl)undecanoic acid?
The IUPAC name of 3-(3-acetamidopropyl)undecanoic acid (CID 21259482) is 3-(3-acetamidopropyl)undecanoic acid.
What is the SMILES notation for 3-(3-acetamidopropyl)undecanoic acid?
The canonical SMILES for 3-(3-acetamidopropyl)undecanoic acid is CCCCCCCCC(CCCNC(C)=O)CC(=O)O.
What is the InChIKey of 3-(3-acetamidopropyl)undecanoic acid?
The InChIKey is CEEZJBRRVUASIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-3-4-5-6-7-8-10-15(13-16(19)20)11-9-12-17-14(2)18/h15H,3-13H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3-acetamidopropyl)undecanoic acid?
3-(3-acetamidopropyl)undecanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.74, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidopropyl)undecanoic acid is sourced from PubChem (CID 21259482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).