2-(3-acetamidopropyl)dodecanoic acid

C17H33NO3 — CID 21259261

IUPAC2-(3-acetamidopropyl)dodecanoic acid
SMILESCCCCCCCCCCC(CCCNC(C)=O)C(=O)O
InChIInChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-12-16(17(20)21)13-11-14-18-15(2)19/h16H,3-14H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPVQBOWUEIMKHSI-UHFFFAOYSA-N
MW299.45 g/mol
LogP4.13
Rot. Bonds14

About 2-(3-acetamidopropyl)dodecanoic acid

2-(3-acetamidopropyl)dodecanoic acid (PubChem CID 21259261) has the molecular formula C17H33NO3 and a molecular weight of 299.45 g/mol. Its IUPAC name is 2-(3-acetamidopropyl)dodecanoic acid.

Molecular Properties

Compound Name2-(3-acetamidopropyl)dodecanoic acid
PubChem CID21259261
Molecular FormulaC17H33NO3
Molecular Weight299.45 g/mol
Exact Mass299.25
IUPAC Name2-(3-acetamidopropyl)dodecanoic acid
SMILESCCCCCCCCCCC(CCCNC(C)=O)C(=O)O
InChIInChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-12-16(17(20)21)13-11-14-18-15(2)19/h16H,3-14H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPVQBOWUEIMKHSI-UHFFFAOYSA-N
XLogP4.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.45
LogP ≤ 54.13
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

2-(3-acetamidopropyl)dodecanoate
CID 21259260
2-heptadecylicosanoic acid
CID 57459073
2-nonyldodecanoic acid
CID 57283654
2-pentyldodecanoic acid
CID 18521426
2-undecylhexadecanoic acid
CID 139670823
2-hexylpentacosanoic acid
CID 158257677
2-nonylpentadecanoic acid
CID 139605044
(2S)-2-heptyldecanoic acid
CID 171991627
2-dodecyloctacosanoic acid
CID 90897371
2-dodecyldotriacontanoic acid
CID 90853745
2-dodecylhexadecanoic acid;2-dodecylicosanoic acid;2-dodecyloctadecanoic acid;2-hexadecyloctadecanoic acid;2-tetradecylhexadecanoic acid;2-tetradecyloctadecanoic acid
CID 173164625
2-hexylnonanoic acid
CID 18521424

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidopropyl)dodecanoic acid?
The IUPAC name of 2-(3-acetamidopropyl)dodecanoic acid (CID 21259261) is 2-(3-acetamidopropyl)dodecanoic acid.
What is the SMILES notation for 2-(3-acetamidopropyl)dodecanoic acid?
The canonical SMILES for 2-(3-acetamidopropyl)dodecanoic acid is CCCCCCCCCCC(CCCNC(C)=O)C(=O)O.
What is the InChIKey of 2-(3-acetamidopropyl)dodecanoic acid?
The InChIKey is PVQBOWUEIMKHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO3/c1-3-4-5-6-7-8-9-10-12-16(17(20)21)13-11-14-18-15(2)19/h16H,3-14H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-(3-acetamidopropyl)dodecanoic acid?
2-(3-acetamidopropyl)dodecanoic acid has a molecular weight of 299.45 g/mol, XLogP of 4.13, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidopropyl)dodecanoic acid is sourced from PubChem (CID 21259261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).