chloromethyl N,N-di(pentadecyl)carbamate

C32H64ClNO2 — CID 177225188

IUPACchloromethyl N,N-di(pentadecyl)carbamate
SMILESCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)C(=O)OCCl
InChIInChI=1S/C32H64ClNO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(32(35)36-31-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyGMUYDZOWBFLJRL-UHFFFAOYSA-N
MW530.32 g/mol
LogP11.80
Rot. Bonds29

About chloromethyl N,N-di(pentadecyl)carbamate

chloromethyl N,N-di(pentadecyl)carbamate (PubChem CID 177225188) has the molecular formula C32H64ClNO2 and a molecular weight of 530.32 g/mol. Its IUPAC name is chloromethyl N,N-di(pentadecyl)carbamate.

Molecular Properties

Compound Namechloromethyl N,N-di(pentadecyl)carbamate
PubChem CID177225188
Molecular FormulaC32H64ClNO2
Molecular Weight530.32 g/mol
Exact Mass529.46
IUPAC Namechloromethyl N,N-di(pentadecyl)carbamate
SMILESCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)C(=O)OCCl
InChIInChI=1S/C32H64ClNO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(32(35)36-31-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3
InChIKeyGMUYDZOWBFLJRL-UHFFFAOYSA-N
XLogP11.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.32
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
propyl N,N-diheptylcarbamate
CID 168918832
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
CID 11960466
2-chloro-N,N-di(nonyl)acetamide
CID 533173
3-(dimethylamino)propyl N,N-bis(octadec-9-enyl)carbamate
CID 123568767
ethyl N,N-didodecylcarbamate;hexa-2,4-diyne-1,6-diol
CID 163902073

Frequently Asked Questions

What is the IUPAC name of chloromethyl N,N-di(pentadecyl)carbamate?
The IUPAC name of chloromethyl N,N-di(pentadecyl)carbamate (CID 177225188) is chloromethyl N,N-di(pentadecyl)carbamate.
What is the SMILES notation for chloromethyl N,N-di(pentadecyl)carbamate?
The canonical SMILES for chloromethyl N,N-di(pentadecyl)carbamate is CCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCC)C(=O)OCCl.
What is the InChIKey of chloromethyl N,N-di(pentadecyl)carbamate?
The InChIKey is GMUYDZOWBFLJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64ClNO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(32(35)36-31-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3.
What are the key properties of chloromethyl N,N-di(pentadecyl)carbamate?
chloromethyl N,N-di(pentadecyl)carbamate has a molecular weight of 530.32 g/mol, XLogP of 11.80, 29 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl N,N-di(pentadecyl)carbamate is sourced from PubChem (CID 177225188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).