tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate

C16H30N2O4 — CID 140570671

IUPACtert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)17-16(10-8-7-9-11-16)18-13(20)22-15(4,5)6/h7-11H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyCRKQHUCASUYIHO-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.70
Rot. Bonds2

About tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate

tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate (PubChem CID 140570671) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
PubChem CID140570671
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Nametert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(NC(=O)OC(C)(C)C)CCCCC1
InChIInChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)17-16(10-8-7-9-11-16)18-13(20)22-15(4,5)6/h7-11H2,1-6H3,(H,17,19)(H,18,20)
InChIKeyCRKQHUCASUYIHO-UHFFFAOYSA-N
XLogP3.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate (CID 140570671) is tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1(NC(=O)OC(C)(C)C)CCCCC1.
What is the InChIKey of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate?
The InChIKey is CRKQHUCASUYIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-14(2,3)21-12(19)17-16(10-8-7-9-11-16)18-13(20)22-15(4,5)6/h7-11H2,1-6H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate?
tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate has a molecular weight of 314.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate is sourced from PubChem (CID 140570671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).