tetradecyl N-(hydroxymethyl)carbamate

C16H33NO3 — CID 71348472

IUPACtetradecyl N-(hydroxymethyl)carbamate
SMILESCCCCCCCCCCCCCCOC(=O)NCO
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)17-15-18/h18H,2-15H2,1H3,(H,17,19)
InChIKeySSOLAKZDLZVCAQ-UHFFFAOYSA-N
MW287.44 g/mol
LogP4.36
Rot. Bonds14

About tetradecyl N-(hydroxymethyl)carbamate

tetradecyl N-(hydroxymethyl)carbamate (PubChem CID 71348472) has the molecular formula C16H33NO3 and a molecular weight of 287.44 g/mol. Its IUPAC name is tetradecyl N-(hydroxymethyl)carbamate.

Molecular Properties

Compound Nametetradecyl N-(hydroxymethyl)carbamate
PubChem CID71348472
Molecular FormulaC16H33NO3
Molecular Weight287.44 g/mol
Exact Mass287.25
IUPAC Nametetradecyl N-(hydroxymethyl)carbamate
SMILESCCCCCCCCCCCCCCOC(=O)NCO
InChIInChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)17-15-18/h18H,2-15H2,1H3,(H,17,19)
InChIKeySSOLAKZDLZVCAQ-UHFFFAOYSA-N
XLogP4.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
octadecyl N-propylcarbamate
CID 175015942
hexyl N-tetradecylcarbamate
CID 91739120
azane;octyl N-octylcarbamate
CID 175531380
pentyl 2-(butoxycarbonylamino)acetate
CID 6422768
henicosyl N-aminocarbamate
CID 174861039
octyl N-aminocarbamate
CID 129323256
octadec-9-enyl N-butylcarbamate
CID 91581457
pentyl N-(pentoxycarbonylamino)carbamate
CID 71445161
3-(octoxycarbonylamino)propanoic acid
CID 11096866
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885

Frequently Asked Questions

What is the IUPAC name of tetradecyl N-(hydroxymethyl)carbamate?
The IUPAC name of tetradecyl N-(hydroxymethyl)carbamate (CID 71348472) is tetradecyl N-(hydroxymethyl)carbamate.
What is the SMILES notation for tetradecyl N-(hydroxymethyl)carbamate?
The canonical SMILES for tetradecyl N-(hydroxymethyl)carbamate is CCCCCCCCCCCCCCOC(=O)NCO.
What is the InChIKey of tetradecyl N-(hydroxymethyl)carbamate?
The InChIKey is SSOLAKZDLZVCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-16(19)17-15-18/h18H,2-15H2,1H3,(H,17,19).
What are the key properties of tetradecyl N-(hydroxymethyl)carbamate?
tetradecyl N-(hydroxymethyl)carbamate has a molecular weight of 287.44 g/mol, XLogP of 4.36, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl N-(hydroxymethyl)carbamate is sourced from PubChem (CID 71348472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).