2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate

C59H150N2O13 — CID 163914180

IUPAC2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate
SMILESC.C.C.C.C.C.C.C.C.C.CCC(C)CC.CCCCCOCOCC.CCCOC(=O)NCC.CCCOCC.CCCOCCCCOCC.CCCOCCOCOCC.CCNC(=O)OCCOCC
InChIInChI=1S/C9H20O2.C8H18O3.C8H18O2.C7H15NO3.C6H13NO2.C6H14.C5H12O.10CH4/c1-3-7-11-9-6-5-8-10-4-2;1-3-5-10-6-7-11-8-9-4-2;1-3-5-6-7-10-8-9-4-2;1-3-8-7(9)11-6-5-10-4-2;1-3-5-9-6(8)7-4-2;1-4-6(3)5-2;1-3-5-6-4-2;;;;;;;;;;/h3-9H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3;3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);6H,4-5H2,1-3H3;3-5H2,1-2H3;10*1H4
InChIKeyQUUKGBIBYPTNIY-UHFFFAOYSA-N
MW1095.85 g/mol
LogP17.99
Rot. Bonds36

About 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate

2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate (PubChem CID 163914180) has the molecular formula C59H150N2O13 and a molecular weight of 1095.85 g/mol. Its IUPAC name is 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate.

Molecular Properties

Compound Name2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate
PubChem CID163914180
Molecular FormulaC59H150N2O13
Molecular Weight1095.85 g/mol
Exact Mass1095.11
IUPAC Name2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate
SMILESC.C.C.C.C.C.C.C.C.C.CCC(C)CC.CCCCCOCOCC.CCCOC(=O)NCC.CCCOCC.CCCOCCCCOCC.CCCOCCOCOCC.CCNC(=O)OCCOCC
InChIInChI=1S/C9H20O2.C8H18O3.C8H18O2.C7H15NO3.C6H13NO2.C6H14.C5H12O.10CH4/c1-3-7-11-9-6-5-8-10-4-2;1-3-5-10-6-7-11-8-9-4-2;1-3-5-6-7-10-8-9-4-2;1-3-8-7(9)11-6-5-10-4-2;1-3-5-9-6(8)7-4-2;1-4-6(3)5-2;1-3-5-6-4-2;;;;;;;;;;/h3-9H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3;3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);6H,4-5H2,1-3H3;3-5H2,1-2H3;10*1H4
InChIKeyQUUKGBIBYPTNIY-UHFFFAOYSA-N
XLogP17.99
TPSA159.73 Ų
H-Bond Donors2
H-Bond Acceptors13
Rotatable Bonds36
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001095.85
LogP ≤ 517.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate with MolForge

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Related Compounds

carbon dioxide;2-ethoxy-N-ethylethanamine;7-ethoxyheptan-3-ol;1-ethoxyhexan-2-ol;1-ethoxypropane;1-ethoxy-3-propoxypropan-2-ol;methane;3-methylpentane;propyl N-ethylcarbamate
CID 167682865
4-(ethylcarbamoyloxy)butyl N-ethylcarbamate;methane
CID 158264947
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(ethylcarbamoyloxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl butanoate
CID 157351011
2-hexoxyethyl 2-methylpropanoate
CID 88618751
propyl N-(2-methylpropyl)carbamate
CID 91192078
2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethyl 2-hydroxypropanoate
CID 56949346
2-(2-octoxyethoxy)ethyl 2-hydroxypropanoate
CID 122514665
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
2-methyl-N-(2-pentoxyethyl)butanamide
CID 170952196
pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
CID 121470119

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate?
The IUPAC name of 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate (CID 163914180) is 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate.
What is the SMILES notation for 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate?
The canonical SMILES for 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate is C.C.C.C.C.C.C.C.C.C.CCC(C)CC.CCCCCOCOCC.CCCOC(=O)NCC.CCCOCC.CCCOCCCCOCC.CCCOCCOCOCC.CCNC(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate?
The InChIKey is QUUKGBIBYPTNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O2.C8H18O3.C8H18O2.C7H15NO3.C6H13NO2.C6H14.C5H12O.10CH4/c1-3-7-11-9-6-5-8-10-4-2;1-3-5-10-6-7-11-8-9-4-2;1-3-5-6-7-10-8-9-4-2;1-3-8-7(9)11-6-5-10-4-2;1-3-5-9-6(8)7-4-2;1-4-6(3)5-2;1-3-5-6-4-2;;;;;;;;;;/h3-9H2,1-2H3;3-8H2,1-2H3;3-8H2,1-2H3;3-6H2,1-2H3,(H,8,9);3-5H2,1-2H3,(H,7,8);6H,4-5H2,1-3H3;3-5H2,1-2H3;10*1H4.
What are the key properties of 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate?
2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate has a molecular weight of 1095.85 g/mol, XLogP of 17.99, 36 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl N-ethylcarbamate;1-[2-(ethoxymethoxy)ethoxy]propane;1-(ethoxymethoxy)pentane;1-ethoxypropane;1-ethoxy-4-propoxybutane;methane;3-methylpentane;propyl N-ethylcarbamate is sourced from PubChem (CID 163914180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).