[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate

C16H32N2O3 — CID 11960466

IUPAC[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
SMILESCCCCCCN(CCCCCC)C(=O)OCC(=O)NC
InChIInChI=1S/C16H32N2O3/c1-4-6-8-10-12-18(13-11-9-7-5-2)16(20)21-14-15(19)17-3/h4-14H2,1-3H3,(H,17,19)
InChIKeyAVOULBXBZGKAAR-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.33
Rot. Bonds12

About [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate

[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate (PubChem CID 11960466) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
PubChem CID11960466
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Name[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
SMILESCCCCCCN(CCCCCC)C(=O)OCC(=O)NC
InChIInChI=1S/C16H32N2O3/c1-4-6-8-10-12-18(13-11-9-7-5-2)16(20)21-14-15(19)17-3/h4-14H2,1-3H3,(H,17,19)
InChIKeyAVOULBXBZGKAAR-UHFFFAOYSA-N
XLogP3.33
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
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
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
[2-(methylamino)-2-oxoethyl]-pentadecylcarbamic acid
CID 87240875
decyl-[2-(methylamino)-2-oxoethyl]carbamic acid
CID 87240984
ethyl N,N-didodecylcarbamate;hexa-2,4-diyne-1,6-diol
CID 163902073

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate (CID 11960466) is [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate is CCCCCCN(CCCCCC)C(=O)OCC(=O)NC.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate?
The InChIKey is AVOULBXBZGKAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-4-6-8-10-12-18(13-11-9-7-5-2)16(20)21-14-15(19)17-3/h4-14H2,1-3H3,(H,17,19).
What are the key properties of [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate?
[2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate has a molecular weight of 300.44 g/mol, XLogP of 3.33, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate is sourced from PubChem (CID 11960466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).