dotriacontyl N,N-dimethylcarbamate

C35H71NO2 — CID 175802283

IUPACdotriacontyl N,N-dimethylcarbamate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)N(C)C
InChIInChI=1S/C35H71NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35(37)36(2)3/h4-34H2,1-3H3
InChIKeyOXRPXWXGHCHZFF-UHFFFAOYSA-N
MW537.96 g/mol
LogP12.41
Rot. Bonds31

About dotriacontyl N,N-dimethylcarbamate

dotriacontyl N,N-dimethylcarbamate (PubChem CID 175802283) has the molecular formula C35H71NO2 and a molecular weight of 537.96 g/mol. Its IUPAC name is dotriacontyl N,N-dimethylcarbamate.

Molecular Properties

Compound Namedotriacontyl N,N-dimethylcarbamate
PubChem CID175802283
Molecular FormulaC35H71NO2
Molecular Weight537.96 g/mol
Exact Mass537.55
IUPAC Namedotriacontyl N,N-dimethylcarbamate
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)N(C)C
InChIInChI=1S/C35H71NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35(37)36(2)3/h4-34H2,1-3H3
InChIKeyOXRPXWXGHCHZFF-UHFFFAOYSA-N
XLogP12.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.96
LogP ≤ 512.41
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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Related Compounds

heptyl N,N-dimethylcarbamate
CID 91542338
pentyl N,N-dimethylcarbamate
CID 18534522
2-(dimethylcarbamoyloxy)ethyl hexadecanoate
CID 157350428
undecyl N-methyl-N-pentylcarbamate
CID 54297307
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
octyl N,N-di(nonyl)carbamate
CID 168918776
nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051
octyl N,N-di(undecyl)carbamate
CID 168918683
pentyl N-methyl-N-propylcarbamate
CID 58662040
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783

Frequently Asked Questions

What is the IUPAC name of dotriacontyl N,N-dimethylcarbamate?
The IUPAC name of dotriacontyl N,N-dimethylcarbamate (CID 175802283) is dotriacontyl N,N-dimethylcarbamate.
What is the SMILES notation for dotriacontyl N,N-dimethylcarbamate?
The canonical SMILES for dotriacontyl N,N-dimethylcarbamate is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)N(C)C.
What is the InChIKey of dotriacontyl N,N-dimethylcarbamate?
The InChIKey is OXRPXWXGHCHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H71NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-38-35(37)36(2)3/h4-34H2,1-3H3.
What are the key properties of dotriacontyl N,N-dimethylcarbamate?
dotriacontyl N,N-dimethylcarbamate has a molecular weight of 537.96 g/mol, XLogP of 12.41, 31 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dotriacontyl N,N-dimethylcarbamate is sourced from PubChem (CID 175802283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).