methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate

C16H26N2O6 — CID 90320819

IUPACmethyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CC(C)(C)CC(C)(CNC(=O)C2COC(=O)O2)C1
InChIInChI=1S/C16H26N2O6/c1-15(2)5-10(18-13(20)22-4)6-16(3,8-15)9-17-12(19)11-7-23-14(21)24-11/h10-11H,5-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWQWZYIXVBXNBFB-UHFFFAOYSA-N
MW342.39 g/mol
LogP1.58
Rot. Bonds4

About methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate

methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate (PubChem CID 90320819) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate
PubChem CID90320819
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Namemethyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CC(C)(C)CC(C)(CNC(=O)C2COC(=O)O2)C1
InChIInChI=1S/C16H26N2O6/c1-15(2)5-10(18-13(20)22-4)6-16(3,8-15)9-17-12(19)11-7-23-14(21)24-11/h10-11H,5-9H2,1-4H3,(H,17,19)(H,18,20)
InChIKeyWQWZYIXVBXNBFB-UHFFFAOYSA-N
XLogP1.58
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate (CID 90320819) is methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate is COC(=O)NC1CC(C)(C)CC(C)(CNC(=O)C2COC(=O)O2)C1.
What is the InChIKey of methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate?
The InChIKey is WQWZYIXVBXNBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-15(2)5-10(18-13(20)22-4)6-16(3,8-15)9-17-12(19)11-7-23-14(21)24-11/h10-11H,5-9H2,1-4H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate?
methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate has a molecular weight of 342.39 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3,3,5-trimethyl-5-[[(2-oxo-1,3-dioxolane-4-carbonyl)amino]methyl]cyclohexyl]carbamate is sourced from PubChem (CID 90320819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).