ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate

C20H36N2O4 — CID 123982120

IUPACethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CCC(C2CCC(N(C)C(=O)OCC)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-5-25-19(23)21(3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)22(4)20(24)26-6-2/h15-18H,5-14H2,1-4H3
InChIKeyDWLBQZZKOXKZAJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.28
Rot. Bonds5

About ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate

ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate (PubChem CID 123982120) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
PubChem CID123982120
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC Nameethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)C1CCC(C2CCC(N(C)C(=O)OCC)CC2)CC1
InChIInChI=1S/C20H36N2O4/c1-5-25-19(23)21(3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)22(4)20(24)26-6-2/h15-18H,5-14H2,1-4H3
InChIKeyDWLBQZZKOXKZAJ-UHFFFAOYSA-N
XLogP4.28
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate (CID 123982120) is ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate is CCOC(=O)N(C)C1CCC(C2CCC(N(C)C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate?
The InChIKey is DWLBQZZKOXKZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-5-25-19(23)21(3)17-11-7-15(8-12-17)16-9-13-18(14-10-16)22(4)20(24)26-6-2/h15-18H,5-14H2,1-4H3.
What are the key properties of ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate?
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate has a molecular weight of 368.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate is sourced from PubChem (CID 123982120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).