ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

C19H34N2O4 — CID 2931096

IUPACethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCC)CC2)CC1
InChIInChI=1S/C19H34N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h14-17H,3-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZWRZENRFKPUNFZ-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.99
Rot. Bonds6

About ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate

ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 2931096) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID2931096
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Nameethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCCOC(=O)NC1CCC(CC2CCC(NC(=O)OCC)CC2)CC1
InChIInChI=1S/C19H34N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h14-17H,3-13H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyZWRZENRFKPUNFZ-UHFFFAOYSA-N
XLogP3.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 2931096) is ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is CCOC(=O)NC1CCC(CC2CCC(NC(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is ZWRZENRFKPUNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h14-17H,3-13H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 354.49 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[[4-(ethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 2931096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).