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

C16H28N4O4 — CID 54416519

IUPACmethyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1(N=NC2(NC(=O)OC)CCCCC2)CCCCC1
InChIInChI=1S/C16H28N4O4/c1-23-13(21)17-15(9-5-3-6-10-15)19-20-16(18-14(22)24-2)11-7-4-8-12-16/h3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyVXVLTXUYMPQNAF-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.47
Rot. Bonds4

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

methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate (PubChem CID 54416519) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate
PubChem CID54416519
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Namemethyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1(N=NC2(NC(=O)OC)CCCCC2)CCCCC1
InChIInChI=1S/C16H28N4O4/c1-23-13(21)17-15(9-5-3-6-10-15)19-20-16(18-14(22)24-2)11-7-4-8-12-16/h3-12H2,1-2H3,(H,17,21)(H,18,22)
InChIKeyVXVLTXUYMPQNAF-UHFFFAOYSA-N
XLogP3.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate (CID 54416519) is methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate is COC(=O)NC1(N=NC2(NC(=O)OC)CCCCC2)CCCCC1.
What is the InChIKey of methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate?
The InChIKey is VXVLTXUYMPQNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-23-13(21)17-15(9-5-3-6-10-15)19-20-16(18-14(22)24-2)11-7-4-8-12-16/h3-12H2,1-2H3,(H,17,21)(H,18,22).
What are the key properties of methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate?
methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate has a molecular weight of 340.42 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-[[1-(methoxycarbonylamino)cyclohexyl]diazenyl]cyclohexyl]carbamate is sourced from PubChem (CID 54416519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).