ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate

C20H41NO6S — CID 142542042

IUPACethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
SMILESCC.CCCOCCOCCOCCOCCOC(=O)NC1CCC(S)CC1
InChIInChI=1S/C18H35NO6S.C2H6/c1-2-7-21-8-9-22-10-11-23-12-13-24-14-15-25-18(20)19-16-3-5-17(26)6-4-16;1-2/h16-17,26H,2-15H2,1H3,(H,19,20);1-2H3
InChIKeyLBJMYFNBICDJSD-UHFFFAOYSA-N
MW423.62 g/mol
LogP3.46
Rot. Bonds15

About ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate

ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate (PubChem CID 142542042) has the molecular formula C20H41NO6S and a molecular weight of 423.62 g/mol. Its IUPAC name is ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate.

Molecular Properties

Compound Nameethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
PubChem CID142542042
Molecular FormulaC20H41NO6S
Molecular Weight423.62 g/mol
Exact Mass423.27
IUPAC Nameethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
SMILESCC.CCCOCCOCCOCCOCCOC(=O)NC1CCC(S)CC1
InChIInChI=1S/C18H35NO6S.C2H6/c1-2-7-21-8-9-22-10-11-23-12-13-24-14-15-25-18(20)19-16-3-5-17(26)6-4-16;1-2/h16-17,26H,2-15H2,1H3,(H,19,20);1-2H3
InChIKeyLBJMYFNBICDJSD-UHFFFAOYSA-N
XLogP3.46
TPSA75.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.62
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
CID 142542075
[4-(propoxycarbonylamino)cyclohexyl]carbamic acid
CID 139823141
(4-sulfanylcyclohexyl) N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 142542065
propyl N-(oxan-4-yl)carbamate
CID 89062839
ethane;molecular hydrogen;propane;(4-sulfanylcyclohexyl) N-[2-(2-propoxyethoxy)ethyl]carbamate
CID 142541943
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate
CID 142542009
2-hydroxyethyl N-(4-propylcyclohexyl)carbamate
CID 79349163
2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
CID 142541904
butyl N-(4-formylcyclohexyl)carbamate
CID 87266632
ethyl N-[4-(methylamino)cyclohexyl]carbamate
CID 43653652
2-[2-[2-[(4-methylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 142541914
2-[2-[2-[2-[2-[2-[(4-sulfanylcyclohexyl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl butanoate
CID 142542016

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?
The IUPAC name of ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate (CID 142542042) is ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate.
What is the SMILES notation for ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?
The canonical SMILES for ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate is CC.CCCOCCOCCOCCOCCOC(=O)NC1CCC(S)CC1.
What is the InChIKey of ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?
The InChIKey is LBJMYFNBICDJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO6S.C2H6/c1-2-7-21-8-9-22-10-11-23-12-13-24-14-15-25-18(20)19-16-3-5-17(26)6-4-16;1-2/h16-17,26H,2-15H2,1H3,(H,19,20);1-2H3.
What are the key properties of ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate?
ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate has a molecular weight of 423.62 g/mol, XLogP of 3.46, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate is sourced from PubChem (CID 142542042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).