methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate

C10H18N2O4 — CID 19883846

IUPACmethyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
SMILESCOC(=O)NC1(NC(=O)OC)CCCCC1
InChIInChI=1S/C10H18N2O4/c1-15-8(13)11-10(12-9(14)16-2)6-4-3-5-7-10/h3-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyIGHDPTBBSRHHTN-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.36
Rot. Bonds2

About methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate

methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate (PubChem CID 19883846) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
PubChem CID19883846
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
SMILESCOC(=O)NC1(NC(=O)OC)CCCCC1
InChIInChI=1S/C10H18N2O4/c1-15-8(13)11-10(12-9(14)16-2)6-4-3-5-7-10/h3-7H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyIGHDPTBBSRHHTN-UHFFFAOYSA-N
XLogP1.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.36
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)-2-methylcyclohexyl]carbamate
CID 19883847
1-t-Butylazo-1-(methoxycarbonylamino)cyclohexane
CID 21431238
1,1'-Azobis [1-(methoxycarbonylamino)cyclohexane]
CID 54416519
3-(Carboxyamino)heptan-3-ylcarbamic acid
CID 57142001
methyl N-(1-aminocyclohexyl)carbamate
CID 67424148
ethyl N-[1-(ethoxycarbonylamino)cyclohexyl]carbamate
CID 88712042
[1-(Ethoxycarbonylamino)cyclohexyl]carbamic acid
CID 139822501
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 140570671
methyl N-[5-(methoxycarbonylamino)nonan-5-yl]carbamate
CID 141353879
[1-(Methoxycarbonylamino)cyclohexyl]carbamic acid
CID 156766874
ethyl N-(1-isocyanatocyclohexyl)carbamate
CID 175310337

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate?
The IUPAC name of methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate (CID 19883846) is methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate?
The canonical SMILES for methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate is COC(=O)NC1(NC(=O)OC)CCCCC1.
What is the InChIKey of methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate?
The InChIKey is IGHDPTBBSRHHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-15-8(13)11-10(12-9(14)16-2)6-4-3-5-7-10/h3-7H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate?
methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate has a molecular weight of 230.26 g/mol, XLogP of 1.36, 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)cyclohexyl]carbamate is sourced from PubChem (CID 19883846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).