decyl N-heptan-2-ylcarbamate

C18H37NO2 — CID 91736331

IUPACdecyl N-heptan-2-ylcarbamate
SMILESCCCCCCCCCCOC(=O)NC(C)CCCCC
InChIInChI=1S/C18H37NO2/c1-4-6-8-9-10-11-12-14-16-21-18(20)19-17(3)15-13-7-5-2/h17H,4-16H2,1-3H3,(H,19,20)
InChIKeyKIWNUJQLPAGGFD-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.82
Rot. Bonds14

About decyl N-heptan-2-ylcarbamate

decyl N-heptan-2-ylcarbamate (PubChem CID 91736331) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is decyl N-heptan-2-ylcarbamate.

Molecular Properties

Compound Namedecyl N-heptan-2-ylcarbamate
PubChem CID91736331
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Namedecyl N-heptan-2-ylcarbamate
SMILESCCCCCCCCCCOC(=O)NC(C)CCCCC
InChIInChI=1S/C18H37NO2/c1-4-6-8-9-10-11-12-14-16-21-18(20)19-17(3)15-13-7-5-2/h17H,4-16H2,1-3H3,(H,19,20)
InChIKeyKIWNUJQLPAGGFD-UHFFFAOYSA-N
XLogP5.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 decyl N-heptan-2-ylcarbamate?
The IUPAC name of decyl N-heptan-2-ylcarbamate (CID 91736331) is decyl N-heptan-2-ylcarbamate.
What is the SMILES notation for decyl N-heptan-2-ylcarbamate?
The canonical SMILES for decyl N-heptan-2-ylcarbamate is CCCCCCCCCCOC(=O)NC(C)CCCCC.
What is the InChIKey of decyl N-heptan-2-ylcarbamate?
The InChIKey is KIWNUJQLPAGGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-8-9-10-11-12-14-16-21-18(20)19-17(3)15-13-7-5-2/h17H,4-16H2,1-3H3,(H,19,20).
What are the key properties of decyl N-heptan-2-ylcarbamate?
decyl N-heptan-2-ylcarbamate has a molecular weight of 299.50 g/mol, XLogP of 5.82, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl N-heptan-2-ylcarbamate is sourced from PubChem (CID 91736331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).