[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate

C15H28N2O6 — CID 163467472

IUPAC[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)CC
InChIInChI=1S/C15H28N2O6/c1-4-12(18)8-7-9-21-13(10-22-14(19)16-5-2)11-23-15(20)17-6-3/h13H,4-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyBTUREVYFFIUYTM-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.62
Rot. Bonds12

About [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate

[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate (PubChem CID 163467472) has the molecular formula C15H28N2O6 and a molecular weight of 332.40 g/mol. Its IUPAC name is [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate
PubChem CID163467472
Molecular FormulaC15H28N2O6
Molecular Weight332.40 g/mol
Exact Mass332.19
IUPAC Name[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)CC
InChIInChI=1S/C15H28N2O6/c1-4-12(18)8-7-9-21-13(10-22-14(19)16-5-2)11-23-15(20)17-6-3/h13H,4-11H2,1-3H3,(H,16,19)(H,17,20)
InChIKeyBTUREVYFFIUYTM-UHFFFAOYSA-N
XLogP1.62
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[3-(ethylcarbamoyloxy)-2-[4-(methylamino)-4-oxobutoxy]propyl] N-ethylcarbamate
CID 57809564
[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
CID 58183309
[2-(4-amino-4-oxobutoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate
CID 58340912
[3-(ethylcarbamoyloxy)-2-(4-oxobutoxy)propyl] N-ethylcarbamate
CID 58361421
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729864
[3-(ethylcarbamoyloxy)-2-(3-methyl-4-oxopentoxy)propyl] N-ethylcarbamate
CID 58729878
[3-(3-methoxypropylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-(3-methoxypropyl)carbamate
CID 59356245
Methyl 4-[1,3-bis(ethylcarbamoyloxy)propan-2-yloxy]butanoate
CID 59982567
Methylamino 4-[1,3-bis(ethylcarbamoyloxy)propan-2-yloxy]butanoate
CID 89501894
2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
CID 89507381
2-(4-oxopentoxy)ethyl N-ethylcarbamate
CID 89507382
[3-(2-methoxyethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-(2-methoxyethyl)carbamate
CID 117682740

Frequently Asked Questions

What is the IUPAC name of [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate?
The IUPAC name of [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate (CID 163467472) is [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate.
What is the SMILES notation for [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate?
The canonical SMILES for [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate is CCNC(=O)OCC(COC(=O)NCC)OCCCC(=O)CC.
What is the InChIKey of [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate?
The InChIKey is BTUREVYFFIUYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O6/c1-4-12(18)8-7-9-21-13(10-22-14(19)16-5-2)11-23-15(20)17-6-3/h13H,4-11H2,1-3H3,(H,16,19)(H,17,20).
What are the key properties of [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate?
[3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate has a molecular weight of 332.40 g/mol, XLogP of 1.62, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-ethylcarbamate is sourced from PubChem (CID 163467472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).