methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate

C11H20N2O4 — CID 19883847

IUPACmethyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate
SMILESCOC(=O)NC1(NC(=O)OC)CCCCC1C
InChIInChI=1S/C11H20N2O4/c1-8-6-4-5-7-11(8,12-9(14)16-2)13-10(15)17-3/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeySONVTFIQYXUKTE-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.60
Rot. Bonds2

About methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate

methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate (PubChem CID 19883847) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate
PubChem CID19883847
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Namemethyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate
SMILESCOC(=O)NC1(NC(=O)OC)CCCCC1C
InChIInChI=1S/C11H20N2O4/c1-8-6-4-5-7-11(8,12-9(14)16-2)13-10(15)17-3/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15)
InChIKeySONVTFIQYXUKTE-UHFFFAOYSA-N
XLogP1.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
methyl N-[1-(methoxycarbonylamino)-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl]carbamate
CID 19883852
methyl carbamate;methyl N-(1-methylcyclohexyl)carbamate
CID 70629627
[1-(Methoxycarbonylamino)-2-methylcyclohexyl]carbamic acid
CID 176082917

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate?
The IUPAC name of methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate (CID 19883847) is methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate?
The canonical SMILES for methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate is COC(=O)NC1(NC(=O)OC)CCCCC1C.
What is the InChIKey of methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate?
The InChIKey is SONVTFIQYXUKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8-6-4-5-7-11(8,12-9(14)16-2)13-10(15)17-3/h8H,4-7H2,1-3H3,(H,12,14)(H,13,15).
What are the key properties of methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate?
methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate has a molecular weight of 244.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(methoxycarbonylamino)-2-methylcyclohexyl]carbamate is sourced from PubChem (CID 19883847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).