decyl(octadec-9-enyl)carbamic acid

C29H57NO2 — CID 123969443

IUPACdecyl(octadec-9-enyl)carbamic acid
SMILESCCCCCCCCC=CCCCCCCCCN(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C29H57NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30(29(31)32)27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-28H2,1-2H3,(H,31,32)
InChIKeyJSTZPOACCXILFZ-UHFFFAOYSA-N
MW451.78 g/mol
LogP10.14
Rot. Bonds25

About decyl(octadec-9-enyl)carbamic acid

decyl(octadec-9-enyl)carbamic acid (PubChem CID 123969443) has the molecular formula C29H57NO2 and a molecular weight of 451.78 g/mol. Its IUPAC name is decyl(octadec-9-enyl)carbamic acid.

Molecular Properties

Compound Namedecyl(octadec-9-enyl)carbamic acid
PubChem CID123969443
Molecular FormulaC29H57NO2
Molecular Weight451.78 g/mol
Exact Mass451.44
IUPAC Namedecyl(octadec-9-enyl)carbamic acid
SMILESCCCCCCCCC=CCCCCCCCCN(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C29H57NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30(29(31)32)27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-28H2,1-2H3,(H,31,32)
InChIKeyJSTZPOACCXILFZ-UHFFFAOYSA-N
XLogP10.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.78
LogP ≤ 510.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dimethyloleylamine acetate
CID 76967353
methyl N-but-3-enyl-N-dodecylcarbamate
CID 134924040
Octadec-9-enylcarbamic acid
CID 53669837
N-decyl-N-octadec-9-enylformamide
CID 53707715
Methyl(tetradeca-8,10,12-trien-7-yl)carbamic acid
CID 53743823
3-Aminopropyl(octadec-9-enyl)carbamic acid
CID 53921724
N,N-bis(octadec-9-enyl)formamide
CID 53941553
Ethoxycarbonyl-hexadecyl-octadec-9-enyl-octadecylazanium
CID 54043836
N-methyl-N-octadec-9-enylacetamide
CID 54210785
N-octadec-9-enyl-N-tridecylformamide
CID 54293701
Ethoxycarbonyl-octadec-9-enyl-dioctadecylazanium
CID 54343130
Heptadec-8-enylcarbamic acid
CID 54440389

Frequently Asked Questions

What is the IUPAC name of decyl(octadec-9-enyl)carbamic acid?
The IUPAC name of decyl(octadec-9-enyl)carbamic acid (CID 123969443) is decyl(octadec-9-enyl)carbamic acid.
What is the SMILES notation for decyl(octadec-9-enyl)carbamic acid?
The canonical SMILES for decyl(octadec-9-enyl)carbamic acid is CCCCCCCCC=CCCCCCCCCN(CCCCCCCCCC)C(=O)O.
What is the InChIKey of decyl(octadec-9-enyl)carbamic acid?
The InChIKey is JSTZPOACCXILFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H57NO2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30(29(31)32)27-25-23-21-12-10-8-6-4-2/h15-16H,3-14,17-28H2,1-2H3,(H,31,32).
What are the key properties of decyl(octadec-9-enyl)carbamic acid?
decyl(octadec-9-enyl)carbamic acid has a molecular weight of 451.78 g/mol, XLogP of 10.14, 25 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl(octadec-9-enyl)carbamic acid is sourced from PubChem (CID 123969443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).