propyl N-heptylcarbamate

C11H23NO2 — CID 91709548

IUPACpropyl N-heptylcarbamate
SMILESCCCCCCCNC(=O)OCCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-11(13)14-10-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyMJEQGJZWHVKFOZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.09
Rot. Bonds8

About propyl N-heptylcarbamate

propyl N-heptylcarbamate (PubChem CID 91709548) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is propyl N-heptylcarbamate.

Molecular Properties

Compound Namepropyl N-heptylcarbamate
PubChem CID91709548
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namepropyl N-heptylcarbamate
SMILESCCCCCCCNC(=O)OCCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-11(13)14-10-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyMJEQGJZWHVKFOZ-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.09
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 propyl N-heptylcarbamate?
The IUPAC name of propyl N-heptylcarbamate (CID 91709548) is propyl N-heptylcarbamate.
What is the SMILES notation for propyl N-heptylcarbamate?
The canonical SMILES for propyl N-heptylcarbamate is CCCCCCCNC(=O)OCCC.
What is the InChIKey of propyl N-heptylcarbamate?
The InChIKey is MJEQGJZWHVKFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-7-8-9-12-11(13)14-10-4-2/h3-10H2,1-2H3,(H,12,13).
What are the key properties of propyl N-heptylcarbamate?
propyl N-heptylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-heptylcarbamate is sourced from PubChem (CID 91709548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).