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

C12H22N2O4 — CID 19883848

IUPACmethyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1(CNC(=O)OC)CCCCC1
InChIInChI=1S/C12H22N2O4/c1-17-10(15)13-8-12(6-4-3-5-7-12)9-14-11(16)18-2/h3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVJYQZWBKKPQKOS-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.65
Rot. Bonds4

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

methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate (PubChem CID 19883848) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
PubChem CID19883848
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate
SMILESCOC(=O)NCC1(CNC(=O)OC)CCCCC1
InChIInChI=1S/C12H22N2O4/c1-17-10(15)13-8-12(6-4-3-5-7-12)9-14-11(16)18-2/h3-9H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVJYQZWBKKPQKOS-UHFFFAOYSA-N
XLogP1.65
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 ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[[1-(hydroxymethyl)cyclohexyl]methyl]carbamate
CID 110292599
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopropyl]methylamino]acetate
CID 139401080
2-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclobutyl]acetic acid
CID 81165533
methyl N-[(2-methylthiolan-2-yl)methyl]carbamate
CID 115694296
methyl N-[1-(aminomethyl)cyclohexyl]carbamate
CID 63765596
methyl 2-[1-(acetamidomethyl)cyclopentyl]acetate
CID 142068659
methyl 2-[[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]amino]acetate
CID 118461025
methyl N-[1-(methoxycarbonylamino)cyclohexyl]carbamate
CID 19883846
N-[[1-(aminomethyl)cyclopentyl]methyl]acetamide
CID 115365421
methyl N-[(2-methyloxiran-2-yl)methyl]carbamate
CID 73120735
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methoxy-2-methylpropanamide
CID 113258787
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374

Frequently Asked Questions

What is the IUPAC name of methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate (CID 19883848) is methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate is COC(=O)NCC1(CNC(=O)OC)CCCCC1.
What is the InChIKey of methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
The InChIKey is VJYQZWBKKPQKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-17-10(15)13-8-12(6-4-3-5-7-12)9-14-11(16)18-2/h3-9H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate?
methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate has a molecular weight of 258.32 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[1-[(methoxycarbonylamino)methyl]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 19883848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).