12-carbamoyltricosanoic acid

C24H47NO3 — CID 118615002

IUPAC12-carbamoyltricosanoic acid
SMILESCCCCCCCCCCCC(CCCCCCCCCCC(=O)O)C(N)=O
InChIInChI=1S/C24H47NO3/c1-2-3-4-5-6-7-10-13-16-19-22(24(25)28)20-17-14-11-8-9-12-15-18-21-23(26)27/h22H,2-21H2,1H3,(H2,25,28)(H,26,27)
InChIKeyHKSRJQOWZAOZHB-UHFFFAOYSA-N
MW397.64 g/mol
LogP6.99
Rot. Bonds22

About 12-carbamoyltricosanoic acid

12-carbamoyltricosanoic acid (PubChem CID 118615002) has the molecular formula C24H47NO3 and a molecular weight of 397.64 g/mol. Its IUPAC name is 12-carbamoyltricosanoic acid.

Molecular Properties

Compound Name12-carbamoyltricosanoic acid
PubChem CID118615002
Molecular FormulaC24H47NO3
Molecular Weight397.64 g/mol
Exact Mass397.36
IUPAC Name12-carbamoyltricosanoic acid
SMILESCCCCCCCCCCCC(CCCCCCCCCCC(=O)O)C(N)=O
InChIInChI=1S/C24H47NO3/c1-2-3-4-5-6-7-10-13-16-19-22(24(25)28)20-17-14-11-8-9-12-15-18-21-23(26)27/h22H,2-21H2,1H3,(H2,25,28)(H,26,27)
InChIKeyHKSRJQOWZAOZHB-UHFFFAOYSA-N
XLogP6.99
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.64
LogP ≤ 56.99
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

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CID 140987363
2-hexyloctanamide
CID 87302701
2-octyldecanamide
CID 19104479
2-dodecylnonadecanamide
CID 175503182
2-butyltetradecanamide
CID 57191211
2-butyldodecanamide
CID 88685822
2-undecylhexanediamide
CID 174629940
2-octyltridecanedioic acid
CID 4026101
2-octylheptanedioic acid
CID 14718571
2-octyltetradecanedioic acid
CID 21327661
hentriacontane-1,19,26-tricarboxylic acid
CID 174861570
2-decyldecanedioic acid
CID 154173290

Frequently Asked Questions

What is the IUPAC name of 12-carbamoyltricosanoic acid?
The IUPAC name of 12-carbamoyltricosanoic acid (CID 118615002) is 12-carbamoyltricosanoic acid.
What is the SMILES notation for 12-carbamoyltricosanoic acid?
The canonical SMILES for 12-carbamoyltricosanoic acid is CCCCCCCCCCCC(CCCCCCCCCCC(=O)O)C(N)=O.
What is the InChIKey of 12-carbamoyltricosanoic acid?
The InChIKey is HKSRJQOWZAOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO3/c1-2-3-4-5-6-7-10-13-16-19-22(24(25)28)20-17-14-11-8-9-12-15-18-21-23(26)27/h22H,2-21H2,1H3,(H2,25,28)(H,26,27).
What are the key properties of 12-carbamoyltricosanoic acid?
12-carbamoyltricosanoic acid has a molecular weight of 397.64 g/mol, XLogP of 6.99, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-carbamoyltricosanoic acid is sourced from PubChem (CID 118615002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).