2-hydroxyethyl N-heptylcarbamate

C10H21NO3 — CID 124705283

IUPAC2-hydroxyethyl N-heptylcarbamate
SMILESCCCCCCCNC(=O)OCCO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-11-10(13)14-9-8-12/h12H,2-9H2,1H3,(H,11,13)
InChIKeyUQERKXIFSNJAEM-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.68
Rot. Bonds8

About 2-hydroxyethyl N-heptylcarbamate

2-hydroxyethyl N-heptylcarbamate (PubChem CID 124705283) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-hydroxyethyl N-heptylcarbamate.

Molecular Properties

Compound Name2-hydroxyethyl N-heptylcarbamate
PubChem CID124705283
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-hydroxyethyl N-heptylcarbamate
SMILESCCCCCCCNC(=O)OCCO
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-6-7-11-10(13)14-9-8-12/h12H,2-9H2,1H3,(H,11,13)
InChIKeyUQERKXIFSNJAEM-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethoxy)ethyl N-octadecylcarbamate
CID 14782678
hexyl N-tetradecylcarbamate
CID 91739120
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
2-fluoroethyl N-hexylcarbamate
CID 87287131
azane;octyl N-octylcarbamate
CID 175531380
2-hydroxyethyl N-propylcarbamate
CID 15560805
2-(2-hydroxyethylsulfanyl)ethyl N-pentadecylcarbamate
CID 15724510
2-bromoethyl N-octadecylcarbamate
CID 59133738
butyl N-(3-hydroxypropyl)carbamate
CID 57302125

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl N-heptylcarbamate?
The IUPAC name of 2-hydroxyethyl N-heptylcarbamate (CID 124705283) is 2-hydroxyethyl N-heptylcarbamate.
What is the SMILES notation for 2-hydroxyethyl N-heptylcarbamate?
The canonical SMILES for 2-hydroxyethyl N-heptylcarbamate is CCCCCCCNC(=O)OCCO.
What is the InChIKey of 2-hydroxyethyl N-heptylcarbamate?
The InChIKey is UQERKXIFSNJAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-6-7-11-10(13)14-9-8-12/h12H,2-9H2,1H3,(H,11,13).
What are the key properties of 2-hydroxyethyl N-heptylcarbamate?
2-hydroxyethyl N-heptylcarbamate has a molecular weight of 203.28 g/mol, XLogP of 1.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl N-heptylcarbamate is sourced from PubChem (CID 124705283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).