2-ethylhexyl N-(4-hydroxybutyl)carbamate

C13H27NO3 — CID 54017196

IUPAC2-ethylhexyl N-(4-hydroxybutyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCCCO
InChIInChI=1S/C13H27NO3/c1-3-5-8-12(4-2)11-17-13(16)14-9-6-7-10-15/h12,15H,3-11H2,1-2H3,(H,14,16)
InChIKeyKWKYTDPGLZMZJD-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.70
Rot. Bonds10

About 2-ethylhexyl N-(4-hydroxybutyl)carbamate

2-ethylhexyl N-(4-hydroxybutyl)carbamate (PubChem CID 54017196) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-ethylhexyl N-(4-hydroxybutyl)carbamate.

Molecular Properties

Compound Name2-ethylhexyl N-(4-hydroxybutyl)carbamate
PubChem CID54017196
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-ethylhexyl N-(4-hydroxybutyl)carbamate
SMILESCCCCC(CC)COC(=O)NCCCCO
InChIInChI=1S/C13H27NO3/c1-3-5-8-12(4-2)11-17-13(16)14-9-6-7-10-15/h12,15H,3-11H2,1-2H3,(H,14,16)
InChIKeyKWKYTDPGLZMZJD-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.70
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-ethylhexyl N-(2-methoxyethyl)carbamate
CID 18954420
sodium;2-ethylhexyl N-(2-ethylhexyl)carbamate;hydride
CID 175143259
2-ethylhexyl N-ethenylcarbamate
CID 21260803
2-ethylhexyl 2-(methylamino)propanoate
CID 62638367
10-(2-ethylhexoxy)-10-oxodecanoic acid;hexane-1,6-diol
CID 121376570
4-[6-[3,5-bis[6-(2-ethylhexoxycarbonylamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamoyloxy]butyl prop-2-enoate
CID 102023738
2-propylpentyl N-(3-sulfanylpropyl)carbamate
CID 170970283
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
2-iodopropyl N-butylcarbamate
CID 175153431
butyl N-(3-hydroxypropyl)carbamate
CID 57302125
2-ethylhexyl 3-hydroxy-2-oxopropanoate
CID 123564601

Frequently Asked Questions

What is the IUPAC name of 2-ethylhexyl N-(4-hydroxybutyl)carbamate?
The IUPAC name of 2-ethylhexyl N-(4-hydroxybutyl)carbamate (CID 54017196) is 2-ethylhexyl N-(4-hydroxybutyl)carbamate.
What is the SMILES notation for 2-ethylhexyl N-(4-hydroxybutyl)carbamate?
The canonical SMILES for 2-ethylhexyl N-(4-hydroxybutyl)carbamate is CCCCC(CC)COC(=O)NCCCCO.
What is the InChIKey of 2-ethylhexyl N-(4-hydroxybutyl)carbamate?
The InChIKey is KWKYTDPGLZMZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-5-8-12(4-2)11-17-13(16)14-9-6-7-10-15/h12,15H,3-11H2,1-2H3,(H,14,16).
What are the key properties of 2-ethylhexyl N-(4-hydroxybutyl)carbamate?
2-ethylhexyl N-(4-hydroxybutyl)carbamate has a molecular weight of 245.36 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexyl N-(4-hydroxybutyl)carbamate is sourced from PubChem (CID 54017196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).