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

C17H30N2O4 — CID 756999

IUPACmethyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CC2CCC(NC(=O)OC)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-22-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)23-2/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKQDNPOILBBPBNT-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.21
Rot. Bonds4

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

methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (PubChem CID 756999) has the molecular formula C17H30N2O4 and a molecular weight of 326.44 g/mol. Its IUPAC name is methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
PubChem CID756999
Molecular FormulaC17H30N2O4
Molecular Weight326.44 g/mol
Exact Mass326.22
IUPAC Namemethyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(CC2CCC(NC(=O)OC)CC2)CC1
InChIInChI=1S/C17H30N2O4/c1-22-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)23-2/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyKQDNPOILBBPBNT-UHFFFAOYSA-N
XLogP3.21
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate (CID 756999) is methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is COC(=O)NC1CCC(CC2CCC(NC(=O)OC)CC2)CC1.
What is the InChIKey of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
The InChIKey is KQDNPOILBBPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O4/c1-22-16(20)18-14-7-3-12(4-8-14)11-13-5-9-15(10-6-13)19-17(21)23-2/h12-15H,3-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate?
methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate has a molecular weight of 326.44 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[4-(methoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 756999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).