2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate

C20H36N2O6S — CID 142541904

IUPAC2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
SMILESCCSC1CCC(NC(=O)OCCOCCOCCNC(=O)CCC(C)=O)CC1
InChIInChI=1S/C20H36N2O6S/c1-3-29-18-7-5-17(6-8-18)22-20(25)28-15-14-27-13-12-26-11-10-21-19(24)9-4-16(2)23/h17-18H,3-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLPIZNOWRTWABPZ-UHFFFAOYSA-N
MW432.58 g/mol
LogP2.30
Rot. Bonds15

About 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate

2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate (PubChem CID 142541904) has the molecular formula C20H36N2O6S and a molecular weight of 432.58 g/mol. Its IUPAC name is 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate.

Molecular Properties

Compound Name2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
PubChem CID142541904
Molecular FormulaC20H36N2O6S
Molecular Weight432.58 g/mol
Exact Mass432.23
IUPAC Name2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
SMILESCCSC1CCC(NC(=O)OCCOCCOCCNC(=O)CCC(C)=O)CC1
InChIInChI=1S/C20H36N2O6S/c1-3-29-18-7-5-17(6-8-18)22-20(25)28-15-14-27-13-12-26-11-10-21-19(24)9-4-16(2)23/h17-18H,3-15H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyLPIZNOWRTWABPZ-UHFFFAOYSA-N
XLogP2.30
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[4-[(Z)-prop-1-enyl]sulfanylcyclohexyl]carbamate
CID 142541976
2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate
CID 142541949
2-[2-[2-[2-[2-[(4-ethylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
CID 142541832
2-[2-[2-[2-[(4-methylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 138468898
2-[2-[2-[(4-methylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethyl 4-oxopentanoate
CID 142541914
ethane;methane;2-[2-[2-[2-[2-(2-methylsulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methoxypropanoate;molecular hydrogen;2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate
CID 142542052
2-[2-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
CID 142542075
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-(4-methylsulfanylcyclohexyl)carbamate
CID 142542009
N-(3-ethylsulfanylcyclopentyl)-4-oxopentanamide
CID 103713860
(4-propan-2-ylsulfanylcyclohexyl) N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 142542081
ethane;4-oxo-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pentanamide
CID 145408337
2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethyl 4-methylpiperidine-1-carboxylate
CID 142542047

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate?
The IUPAC name of 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate (CID 142541904) is 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate.
What is the SMILES notation for 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate?
The canonical SMILES for 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate is CCSC1CCC(NC(=O)OCCOCCOCCNC(=O)CCC(C)=O)CC1.
What is the InChIKey of 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate?
The InChIKey is LPIZNOWRTWABPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O6S/c1-3-29-18-7-5-17(6-8-18)22-20(25)28-15-14-27-13-12-26-11-10-21-19(24)9-4-16(2)23/h17-18H,3-15H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate?
2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate has a molecular weight of 432.58 g/mol, XLogP of 2.30, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate is sourced from PubChem (CID 142541904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).