2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate

C11H23NO4 — CID 57213221

IUPAC2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
SMILESCCCCCCN(CCO)C(=O)OCCO
InChIInChI=1S/C11H23NO4/c1-2-3-4-5-6-12(7-8-13)11(15)16-10-9-14/h13-14H,2-10H2,1H3
InChIKeyJNEHBDRNMBKPFZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.99
Rot. Bonds9

About 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate

2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate (PubChem CID 57213221) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
PubChem CID57213221
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Name2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
SMILESCCCCCCN(CCO)C(=O)OCCO
InChIInChI=1S/C11H23NO4/c1-2-3-4-5-6-12(7-8-13)11(15)16-10-9-14/h13-14H,2-10H2,1H3
InChIKeyJNEHBDRNMBKPFZ-UHFFFAOYSA-N
XLogP0.99
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
propyl N,N-diheptylcarbamate
CID 168918832
2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 61068983
ethyl N-heptyl-N-(3-hydroxypropyl)carbamate
CID 64593193
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-(methylamino)-2-oxoethyl] N,N-dihexylcarbamate
CID 11960466
chloromethyl N,N-di(pentadecyl)carbamate
CID 177225188
5-[cyclohexyl(2-hydroxyethyl)amino]pentyl N,N-dioctylcarbamate
CID 169317552
4-hydroxybutyl N,N-bis[(9Z,12Z)-octadeca-9,12-dienyl]carbamate
CID 118057450

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate (CID 57213221) is 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate is CCCCCCN(CCO)C(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
The InChIKey is JNEHBDRNMBKPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-2-3-4-5-6-12(7-8-13)11(15)16-10-9-14/h13-14H,2-10H2,1H3.
What are the key properties of 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate?
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate has a molecular weight of 233.31 g/mol, XLogP of 0.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 57213221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).