propyl N,N-diheptylcarbamate

C18H37NO2 — CID 168918832

IUPACpropyl N,N-diheptylcarbamate
SMILESCCCCCCCN(CCCCCCC)C(=O)OCCC
InChIInChI=1S/C18H37NO2/c1-4-7-9-11-13-15-19(18(20)21-17-6-3)16-14-12-10-8-5-2/h4-17H2,1-3H3
InChIKeyZLHRGUZTWMAIGQ-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.78
Rot. Bonds14

About propyl N,N-diheptylcarbamate

propyl N,N-diheptylcarbamate (PubChem CID 168918832) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is propyl N,N-diheptylcarbamate.

Molecular Properties

Compound Namepropyl N,N-diheptylcarbamate
PubChem CID168918832
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Namepropyl N,N-diheptylcarbamate
SMILESCCCCCCCN(CCCCCCC)C(=O)OCCC
InChIInChI=1S/C18H37NO2/c1-4-7-9-11-13-15-19(18(20)21-17-6-3)16-14-12-10-8-5-2/h4-17H2,1-3H3
InChIKeyZLHRGUZTWMAIGQ-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

octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
ethyl N,N-di(heptadecyl)carbamate
CID 70629745
ethyl N,N-didodecylcarbamate
CID 70629624
ethyl N-[6-[ethoxycarbonyl(octyl)amino]hexyl]-N-octylcarbamate
CID 23053337
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
propyl N-butyl-N-(2,2-dimethylpropyl)carbamate
CID 89281489
3-(dimethylamino)propyl N,N-bis(octadec-9-enyl)carbamate
CID 123568767
propyl 4-[di(nonyl)amino]-4-oxobutanoate
CID 91703014
[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
CID 11960466

Frequently Asked Questions

What is the IUPAC name of propyl N,N-diheptylcarbamate?
The IUPAC name of propyl N,N-diheptylcarbamate (CID 168918832) is propyl N,N-diheptylcarbamate.
What is the SMILES notation for propyl N,N-diheptylcarbamate?
The canonical SMILES for propyl N,N-diheptylcarbamate is CCCCCCCN(CCCCCCC)C(=O)OCCC.
What is the InChIKey of propyl N,N-diheptylcarbamate?
The InChIKey is ZLHRGUZTWMAIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-7-9-11-13-15-19(18(20)21-17-6-3)16-14-12-10-8-5-2/h4-17H2,1-3H3.
What are the key properties of propyl N,N-diheptylcarbamate?
propyl N,N-diheptylcarbamate 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 propyl N,N-diheptylcarbamate is sourced from PubChem (CID 168918832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).