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

C14H26N2O6 — CID 58729864

IUPAC[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(C)=O
InChIInChI=1S/C14H26N2O6/c1-4-15-13(18)21-9-12(10-22-14(19)16-5-2)20-8-6-7-11(3)17/h12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyDJGBSEDPLVWASY-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.23
Rot. Bonds11

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

[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate (PubChem CID 58729864) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate.

Molecular Properties

Compound Name[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
PubChem CID58729864
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate
SMILESCCNC(=O)OCC(COC(=O)NCC)OCCCC(C)=O
InChIInChI=1S/C14H26N2O6/c1-4-15-13(18)21-9-12(10-22-14(19)16-5-2)20-8-6-7-11(3)17/h12H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyDJGBSEDPLVWASY-UHFFFAOYSA-N
XLogP1.23
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.23
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

[2-(5-aminooxy-4-oxopentoxy)-3-(ethylcarbamoyloxy)propyl] N-ethylcarbamate;carbanide;vanadium
CID 163544048
[3-(ethylcarbamoyloxy)-2-[4-oxo-4-(4-oxobutylamino)butoxy]propyl] N-ethylcarbamate
CID 58341019
[3-(methylcarbamoyloxy)-2-[4-oxo-4-[2-[2-[2-[2-(4-oxopentoxy)ethoxy]ethoxy]ethoxy]ethylamino]butoxy]propyl] N-methylcarbamate
CID 162133133
[(2R)-2,3-dihexadecoxypropyl] N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 167069707
butan-2-one;[3-(ethylcarbamoyloxy)-2-methoxypropyl] N-ethylcarbamate;methane
CID 157151127
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate;3-methyl-N,N'-bis[2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]ethyl]pentanediamide
CID 160885077
methane;[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
CID 158361308
[3-(ethylcarbamoyloxy)-2-methylpropyl] N-ethylcarbamate
CID 58493133
[(2S)-3-[hydroxy(4-oxopentoxy)phosphoryl]oxy-2-(4-oxopentoxy)propyl] acetate
CID 58331137
2,3-bis(ethylcarbamoyloxy)propyl 2-oxobutanoate
CID 100978128
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
ethene;[3-(ethylcarbamoyloxy)-2-[7-[2-[(3-methylsulfanyl-2,5-dioxopyrrolidine-1-carbonyl)amino]ethylamino]-5-[2-[2-[(3-methylsulfanyl-2,5-dioxopyrrolidine-1-carbonyl)amino]ethylamino]-2-oxoethyl]-4,7-dioxoheptoxy]propyl] N-ethylcarbamate
CID 157425666

Frequently Asked Questions

What is the IUPAC name of [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate?
The IUPAC name of [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate (CID 58729864) is [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate.
What is the SMILES notation for [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate?
The canonical SMILES for [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate is CCNC(=O)OCC(COC(=O)NCC)OCCCC(C)=O.
What is the InChIKey of [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate?
The InChIKey is DJGBSEDPLVWASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c1-4-15-13(18)21-9-12(10-22-14(19)16-5-2)20-8-6-7-11(3)17/h12H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate?
[3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate has a molecular weight of 318.37 g/mol, XLogP of 1.23, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylcarbamoyloxy)-2-(4-oxopentoxy)propyl] N-ethylcarbamate is sourced from PubChem (CID 58729864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).