2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate

C19H36N2O5S — CID 142541949

IUPAC2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate
SMILESCCC(=O)NCCOCCOCCOC(=O)NC1CCC(SC(C)C)CC1
InChIInChI=1S/C19H36N2O5S/c1-4-18(22)20-9-10-24-11-12-25-13-14-26-19(23)21-16-5-7-17(8-6-16)27-15(2)3/h15-17H,4-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWFGUVLKFVMDCSX-UHFFFAOYSA-N
MW404.57 g/mol
LogP2.72
Rot. Bonds13

About 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate

2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate (PubChem CID 142541949) has the molecular formula C19H36N2O5S and a molecular weight of 404.57 g/mol. Its IUPAC name is 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate.

Molecular Properties

Compound Name2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate
PubChem CID142541949
Molecular FormulaC19H36N2O5S
Molecular Weight404.57 g/mol
Exact Mass404.23
IUPAC Name2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate
SMILESCCC(=O)NCCOCCOCCOC(=O)NC1CCC(SC(C)C)CC1
InChIInChI=1S/C19H36N2O5S/c1-4-18(22)20-9-10-24-11-12-25-13-14-26-19(23)21-16-5-7-17(8-6-16)27-15(2)3/h15-17H,4-14H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyWFGUVLKFVMDCSX-UHFFFAOYSA-N
XLogP2.72
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.57
LogP ≤ 52.72
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-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl N-(4-ethylsulfanylcyclohexyl)carbamate
CID 142541904
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
2-[2-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[4-[(Z)-prop-1-enyl]sulfanylcyclohexyl]carbamate
CID 142541976
(4-propan-2-ylsulfanylcyclohexyl) N-[2-[2-[2-(4-oxopentanoylamino)ethoxy]ethoxy]ethyl]carbamate
CID 142542081
2-[2-[2-[2-[2-[(4-ethylsulfanylcyclohexyl)carbamoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 5-methyl-4-oxohexanoate
CID 142541832
molecular hydrogen;3-[2-[2-(propanoylamino)ethoxy]ethoxy]-N-(4-propanoylcyclohexyl)propanamide
CID 169159539
N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propanamide
CID 166555863
N-[2-[3-[[4-(2-methylpropanoyl)cyclohexyl]amino]-3-oxopropoxy]ethyl]butanamide
CID 169159425
N-[2-(2-butoxyethoxy)ethyl]propanamide
CID 153105198
ethane;2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethyl N-(4-sulfanylcyclohexyl)carbamate
CID 142542042

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate?
The IUPAC name of 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate (CID 142541949) is 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate.
What is the SMILES notation for 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate?
The canonical SMILES for 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate is CCC(=O)NCCOCCOCCOC(=O)NC1CCC(SC(C)C)CC1.
What is the InChIKey of 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate?
The InChIKey is WFGUVLKFVMDCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O5S/c1-4-18(22)20-9-10-24-11-12-25-13-14-26-19(23)21-16-5-7-17(8-6-16)27-15(2)3/h15-17H,4-14H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate?
2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate has a molecular weight of 404.57 g/mol, XLogP of 2.72, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(propanoylamino)ethoxy]ethoxy]ethyl N-(4-propan-2-ylsulfanylcyclohexyl)carbamate is sourced from PubChem (CID 142541949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).