(3-decyl-2-hydroxytridecyl) carbamate

C24H49NO3 — CID 87092447

IUPAC(3-decyl-2-hydroxytridecyl) carbamate
SMILESCCCCCCCCCCC(CCCCCCCCCC)C(O)COC(N)=O
InChIInChI=1S/C24H49NO3/c1-3-5-7-9-11-13-15-17-19-22(23(26)21-28-24(25)27)20-18-16-14-12-10-8-6-4-2/h22-23,26H,3-21H2,1-2H3,(H2,25,27)
InChIKeyHTNILFMEIIUSLV-UHFFFAOYSA-N
MW399.66 g/mol
LogP7.12
Rot. Bonds21

About (3-decyl-2-hydroxytridecyl) carbamate

(3-decyl-2-hydroxytridecyl) carbamate (PubChem CID 87092447) has the molecular formula C24H49NO3 and a molecular weight of 399.66 g/mol. Its IUPAC name is (3-decyl-2-hydroxytridecyl) carbamate.

Molecular Properties

Compound Name(3-decyl-2-hydroxytridecyl) carbamate
PubChem CID87092447
Molecular FormulaC24H49NO3
Molecular Weight399.66 g/mol
Exact Mass399.37
IUPAC Name(3-decyl-2-hydroxytridecyl) carbamate
SMILESCCCCCCCCCCC(CCCCCCCCCC)C(O)COC(N)=O
InChIInChI=1S/C24H49NO3/c1-3-5-7-9-11-13-15-17-19-22(23(26)21-28-24(25)27)20-18-16-14-12-10-8-6-4-2/h22-23,26H,3-21H2,1-2H3,(H2,25,27)
InChIKeyHTNILFMEIIUSLV-UHFFFAOYSA-N
XLogP7.12
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.66
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-decyl-2-hydroxytridecyl) carbamate?
The IUPAC name of (3-decyl-2-hydroxytridecyl) carbamate (CID 87092447) is (3-decyl-2-hydroxytridecyl) carbamate.
What is the SMILES notation for (3-decyl-2-hydroxytridecyl) carbamate?
The canonical SMILES for (3-decyl-2-hydroxytridecyl) carbamate is CCCCCCCCCCC(CCCCCCCCCC)C(O)COC(N)=O.
What is the InChIKey of (3-decyl-2-hydroxytridecyl) carbamate?
The InChIKey is HTNILFMEIIUSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO3/c1-3-5-7-9-11-13-15-17-19-22(23(26)21-28-24(25)27)20-18-16-14-12-10-8-6-4-2/h22-23,26H,3-21H2,1-2H3,(H2,25,27).
What are the key properties of (3-decyl-2-hydroxytridecyl) carbamate?
(3-decyl-2-hydroxytridecyl) carbamate has a molecular weight of 399.66 g/mol, XLogP of 7.12, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-decyl-2-hydroxytridecyl) carbamate is sourced from PubChem (CID 87092447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).