2-acetamidotetracosanoic acid

C26H51NO3 — CID 13224380

IUPAC2-acetamidotetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(NC(C)=O)C(=O)O
InChIInChI=1S/C26H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(29)30)27-24(2)28/h25H,3-23H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyZGSATQFMCZMNOJ-UHFFFAOYSA-N
MW425.70 g/mol
LogP7.79
Rot. Bonds23

About 2-acetamidotetracosanoic acid

2-acetamidotetracosanoic acid (PubChem CID 13224380) has the molecular formula C26H51NO3 and a molecular weight of 425.70 g/mol. Its IUPAC name is 2-acetamidotetracosanoic acid.

Molecular Properties

Compound Name2-acetamidotetracosanoic acid
PubChem CID13224380
Molecular FormulaC26H51NO3
Molecular Weight425.70 g/mol
Exact Mass425.39
IUPAC Name2-acetamidotetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCCC(NC(C)=O)C(=O)O
InChIInChI=1S/C26H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(29)30)27-24(2)28/h25H,3-23H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyZGSATQFMCZMNOJ-UHFFFAOYSA-N
XLogP7.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.70
LogP ≤ 57.79
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

methyl 2-acetamidooctanoate
CID 6429509
(2R)-2-[(2-chloroacetyl)amino]dodecanoic acid
CID 10541619
2-(2-methylbutanoylamino)heptanoic acid
CID 115910245
phosphanyl 2-acetamidooctanoate
CID 174816873
2-(2-acetamidopropanoylamino)hexanoic acid
CID 43469646
2-[[(2S)-2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
CID 87526152
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299
(2R)-2-acetamido-3-tetradecylsulfanylpropanoic acid
CID 12019095
(2R)-2-acetamido-3-nonylsulfanylpropanoic acid
CID 12019090
2-(butoxycarbonylamino)octanoic acid
CID 87548518
heptane;2-methylheptadecanoic acid
CID 175511035
2,5-diacetamidopentanoic acid
CID 10398396

Frequently Asked Questions

What is the IUPAC name of 2-acetamidotetracosanoic acid?
The IUPAC name of 2-acetamidotetracosanoic acid (CID 13224380) is 2-acetamidotetracosanoic acid.
What is the SMILES notation for 2-acetamidotetracosanoic acid?
The canonical SMILES for 2-acetamidotetracosanoic acid is CCCCCCCCCCCCCCCCCCCCCCC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamidotetracosanoic acid?
The InChIKey is ZGSATQFMCZMNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25(26(29)30)27-24(2)28/h25H,3-23H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of 2-acetamidotetracosanoic acid?
2-acetamidotetracosanoic acid has a molecular weight of 425.70 g/mol, XLogP of 7.79, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidotetracosanoic acid is sourced from PubChem (CID 13224380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).