undecyl N-methyl-N-pentylcarbamate

C18H37NO2 — CID 54297307

IUPACundecyl N-methyl-N-pentylcarbamate
SMILESCCCCCCCCCCCOC(=O)N(C)CCCCC
InChIInChI=1S/C18H37NO2/c1-4-6-8-9-10-11-12-13-15-17-21-18(20)19(3)16-14-7-5-2/h4-17H2,1-3H3
InChIKeySBRLQTVTZPMWNC-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.78
Rot. Bonds14

About undecyl N-methyl-N-pentylcarbamate

undecyl N-methyl-N-pentylcarbamate (PubChem CID 54297307) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is undecyl N-methyl-N-pentylcarbamate.

Molecular Properties

Compound Nameundecyl N-methyl-N-pentylcarbamate
PubChem CID54297307
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Nameundecyl N-methyl-N-pentylcarbamate
SMILESCCCCCCCCCCCOC(=O)N(C)CCCCC
InChIInChI=1S/C18H37NO2/c1-4-6-8-9-10-11-12-13-15-17-21-18(20)19(3)16-14-7-5-2/h4-17H2,1-3H3
InChIKeySBRLQTVTZPMWNC-UHFFFAOYSA-N
XLogP5.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.78
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

pentyl N-methyl-N-propylcarbamate
CID 58662040
ethyl N-methyl-N-octylcarbamate
CID 15790108
methyl-(6-oxo-6-undecoxyhexyl)carbamic acid;undecyl N-methyl-N-pentylcarbamate
CID 173281118
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
methyl N-hexyl-N-methylcarbamate
CID 14923771
2-(propylideneamino)oxyethyl N-heptyl-N-methylcarbamate
CID 130304741
pentyl N,N-dimethylcarbamate
CID 18534522
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
nonoxycarbonyl(pentyl)carbamic acid
CID 54125876

Frequently Asked Questions

What is the IUPAC name of undecyl N-methyl-N-pentylcarbamate?
The IUPAC name of undecyl N-methyl-N-pentylcarbamate (CID 54297307) is undecyl N-methyl-N-pentylcarbamate.
What is the SMILES notation for undecyl N-methyl-N-pentylcarbamate?
The canonical SMILES for undecyl N-methyl-N-pentylcarbamate is CCCCCCCCCCCOC(=O)N(C)CCCCC.
What is the InChIKey of undecyl N-methyl-N-pentylcarbamate?
The InChIKey is SBRLQTVTZPMWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-6-8-9-10-11-12-13-15-17-21-18(20)19(3)16-14-7-5-2/h4-17H2,1-3H3.
What are the key properties of undecyl N-methyl-N-pentylcarbamate?
undecyl N-methyl-N-pentylcarbamate has a molecular weight of 299.50 g/mol, XLogP of 5.78, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for undecyl N-methyl-N-pentylcarbamate is sourced from PubChem (CID 54297307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).