methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate

C12H22N2O4 — CID 10192832

IUPACmethyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1CCC(CNC(=O)OC)CC1
InChIInChI=1S/C12H22N2O4/c1-17-11(15)13-7-9-3-5-10(6-4-9)8-14-12(16)18-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyXICVVDVFIUYMLD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.50
Rot. Bonds4

About methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate

methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate (PubChem CID 10192832) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
PubChem CID10192832
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1CCC(CNC(=O)OC)CC1
InChIInChI=1S/C12H22N2O4/c1-17-11(15)13-7-9-3-5-10(6-4-9)8-14-12(16)18-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyXICVVDVFIUYMLD-UHFFFAOYSA-N
XLogP1.50
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate (CID 10192832) is methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate is COC(=O)NCC1CCC(CNC(=O)OC)CC1.
What is the InChIKey of methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
The InChIKey is XICVVDVFIUYMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-17-11(15)13-7-9-3-5-10(6-4-9)8-14-12(16)18-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[4-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 10192832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).