ethyl N-(formamidomethyl)-N-hexylcarbamate

C11H22N2O3 — CID 54056143

IUPACethyl N-(formamidomethyl)-N-hexylcarbamate
SMILESCCCCCCN(CNC=O)C(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-5-6-7-8-13(9-12-10-14)11(15)16-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyLWJWRLLEBPMCSC-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.73
Rot. Bonds9

About ethyl N-(formamidomethyl)-N-hexylcarbamate

ethyl N-(formamidomethyl)-N-hexylcarbamate (PubChem CID 54056143) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is ethyl N-(formamidomethyl)-N-hexylcarbamate.

Molecular Properties

Compound Nameethyl N-(formamidomethyl)-N-hexylcarbamate
PubChem CID54056143
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nameethyl N-(formamidomethyl)-N-hexylcarbamate
SMILESCCCCCCN(CNC=O)C(=O)OCC
InChIInChI=1S/C11H22N2O3/c1-3-5-6-7-8-13(9-12-10-14)11(15)16-4-2/h10H,3-9H2,1-2H3,(H,12,14)
InChIKeyLWJWRLLEBPMCSC-UHFFFAOYSA-N
XLogP1.73
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
ethyl N,N-didodecylcarbamate;hexa-2,4-diyne-1,6-diol
CID 163902073
octyl N,N-di(undecyl)carbamate
CID 168918683
octyl N,N-di(nonyl)carbamate
CID 168918776
ethyl N-methyl-N-octylcarbamate
CID 15790108
propyl N,N-diheptylcarbamate
CID 168918832
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
ethyl 2-(dihexylamino)-2-oxoacetate
CID 6425347
benzene-1,3-diol;ethyl N,N-di(tridecyl)carbamate
CID 70629730

Frequently Asked Questions

What is the IUPAC name of ethyl N-(formamidomethyl)-N-hexylcarbamate?
The IUPAC name of ethyl N-(formamidomethyl)-N-hexylcarbamate (CID 54056143) is ethyl N-(formamidomethyl)-N-hexylcarbamate.
What is the SMILES notation for ethyl N-(formamidomethyl)-N-hexylcarbamate?
The canonical SMILES for ethyl N-(formamidomethyl)-N-hexylcarbamate is CCCCCCN(CNC=O)C(=O)OCC.
What is the InChIKey of ethyl N-(formamidomethyl)-N-hexylcarbamate?
The InChIKey is LWJWRLLEBPMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-5-6-7-8-13(9-12-10-14)11(15)16-4-2/h10H,3-9H2,1-2H3,(H,12,14).
What are the key properties of ethyl N-(formamidomethyl)-N-hexylcarbamate?
ethyl N-(formamidomethyl)-N-hexylcarbamate has a molecular weight of 230.31 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(formamidomethyl)-N-hexylcarbamate is sourced from PubChem (CID 54056143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).