ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate

C15H30N2O6 — CID 161049130

IUPACethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCC.CCNC(=O)OCCOCCCC(C)=O
InChIInChI=1S/C10H19NO4.C5H11NO2/c1-3-11-10(13)15-8-7-14-6-4-5-9(2)12;1-3-6-5(7)8-4-2/h3-8H2,1-2H3,(H,11,13);3-4H2,1-2H3,(H,6,7)
InChIKeyUBWXCELHXJNVNO-UHFFFAOYSA-N
MW334.41 g/mol
LogP1.87
Rot. Bonds10

About ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate

ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate (PubChem CID 161049130) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate
PubChem CID161049130
Molecular FormulaC15H30N2O6
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Nameethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate
SMILESCCNC(=O)OCC.CCNC(=O)OCCOCCCC(C)=O
InChIInChI=1S/C10H19NO4.C5H11NO2/c1-3-11-10(13)15-8-7-14-6-4-5-9(2)12;1-3-6-5(7)8-4-2/h3-8H2,1-2H3,(H,11,13);3-4H2,1-2H3,(H,6,7)
InChIKeyUBWXCELHXJNVNO-UHFFFAOYSA-N
XLogP1.87
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 51.87
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-(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
2-[2,2-bis[2-(2-methoxyethylcarbamoyloxy)ethoxymethyl]-3-[2-(4-oxopentoxy)ethoxy]propoxy]ethyl N-(2-methoxyethyl)carbamate
CID 58766349
[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
2-(3-methyl-4-oxopentoxy)ethyl N-ethylcarbamate
CID 89507381
2-(4-oxopentoxy)ethyl N-ethylcarbamate
CID 89507382
2-[4-(methylamino)-4-oxobutoxy]ethyl N-ethylcarbamate
CID 89898371
[3-(2-methoxyethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-(2-methoxyethyl)carbamate
CID 117682740

Frequently Asked Questions

What is the IUPAC name of ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate?
The IUPAC name of ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate (CID 161049130) is ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate.
What is the SMILES notation for ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate?
The canonical SMILES for ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate is CCNC(=O)OCC.CCNC(=O)OCCOCCCC(C)=O.
What is the InChIKey of ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate?
The InChIKey is UBWXCELHXJNVNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.C5H11NO2/c1-3-11-10(13)15-8-7-14-6-4-5-9(2)12;1-3-6-5(7)8-4-2/h3-8H2,1-2H3,(H,11,13);3-4H2,1-2H3,(H,6,7).
What are the key properties of ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate?
ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate has a molecular weight of 334.41 g/mol, XLogP of 1.87, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethylcarbamate;2-(4-oxopentoxy)ethyl N-ethylcarbamate is sourced from PubChem (CID 161049130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).