2-methylpropyl N-ethyl-N-tetradecylcarbamate

C21H43NO2 — CID 58096503

IUPAC2-methylpropyl N-ethyl-N-tetradecylcarbamate
SMILESCCCCCCCCCCCCCCN(CC)C(=O)OCC(C)C
InChIInChI=1S/C21H43NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22(6-2)21(23)24-19-20(3)4/h20H,5-19H2,1-4H3
InChIKeyOEYDEKCYMFZONT-UHFFFAOYSA-N
MW341.58 g/mol
LogP6.80
Rot. Bonds16

About 2-methylpropyl N-ethyl-N-tetradecylcarbamate

2-methylpropyl N-ethyl-N-tetradecylcarbamate (PubChem CID 58096503) has the molecular formula C21H43NO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is 2-methylpropyl N-ethyl-N-tetradecylcarbamate.

Molecular Properties

Compound Name2-methylpropyl N-ethyl-N-tetradecylcarbamate
PubChem CID58096503
Molecular FormulaC21H43NO2
Molecular Weight341.58 g/mol
Exact Mass341.33
IUPAC Name2-methylpropyl N-ethyl-N-tetradecylcarbamate
SMILESCCCCCCCCCCCCCCN(CC)C(=O)OCC(C)C
InChIInChI=1S/C21H43NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22(6-2)21(23)24-19-20(3)4/h20H,5-19H2,1-4H3
InChIKeyOEYDEKCYMFZONT-UHFFFAOYSA-N
XLogP6.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.58
LogP ≤ 56.80
H-Bond Donors ≤ 50
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 2-methylpropyl N-ethyl-N-tetradecylcarbamate?
The IUPAC name of 2-methylpropyl N-ethyl-N-tetradecylcarbamate (CID 58096503) is 2-methylpropyl N-ethyl-N-tetradecylcarbamate.
What is the SMILES notation for 2-methylpropyl N-ethyl-N-tetradecylcarbamate?
The canonical SMILES for 2-methylpropyl N-ethyl-N-tetradecylcarbamate is CCCCCCCCCCCCCCN(CC)C(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl N-ethyl-N-tetradecylcarbamate?
The InChIKey is OEYDEKCYMFZONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO2/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22(6-2)21(23)24-19-20(3)4/h20H,5-19H2,1-4H3.
What are the key properties of 2-methylpropyl N-ethyl-N-tetradecylcarbamate?
2-methylpropyl N-ethyl-N-tetradecylcarbamate has a molecular weight of 341.58 g/mol, XLogP of 6.80, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-ethyl-N-tetradecylcarbamate is sourced from PubChem (CID 58096503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).