tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate

C16H30BrNO4 — CID 165493541

IUPACtert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate
SMILESCOC1CCC(OC(C)(CBr)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30BrNO4/c1-15(2,3)22-14(19)18-11-16(4,10-17)21-13-8-6-12(20-5)7-9-13/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyYDHINAHYPFTHQZ-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.64
Rot. Bonds6

About tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate

tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate (PubChem CID 165493541) has the molecular formula C16H30BrNO4 and a molecular weight of 380.32 g/mol. Its IUPAC name is tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate
PubChem CID165493541
Molecular FormulaC16H30BrNO4
Molecular Weight380.32 g/mol
Exact Mass379.14
IUPAC Nametert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate
SMILESCOC1CCC(OC(C)(CBr)CNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H30BrNO4/c1-15(2,3)22-14(19)18-11-16(4,10-17)21-13-8-6-12(20-5)7-9-13/h12-13H,6-11H2,1-5H3,(H,18,19)
InChIKeyYDHINAHYPFTHQZ-UHFFFAOYSA-N
XLogP3.64
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate with MolForge

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

Launch Full Analysis

Related Compounds

tert-butyl N-[3-iodo-2-methyl-2-(4-methylcyclohexyl)oxypropyl]carbamate
CID 114772711
tert-butyl N-(2-cyclopentyloxy-3-iodo-2-methylpropyl)carbamate
CID 114772491
tert-butyl N-[3-bromo-2-(cyclopentylmethoxy)-2-methylpropyl]carbamate
CID 114774602
tert-butyl N-[3-iodo-2-methyl-2-(oxan-4-yloxy)propyl]carbamate
CID 114772321
tert-butyl N-[3-iodo-2-methyl-2-(3-methylcyclopentyl)oxypropyl]carbamate
CID 165489568
tert-butyl N-(3-cyclopropyl-2,2-difluoro-3-oxopropyl)carbamate
CID 165471431
tert-butyl N-[3-bromo-2-(1,3-dimethoxypropan-2-yloxy)-2-methylpropyl]carbamate
CID 165489237
tert-butyl N-[(E)-4-[(4-methoxycyclohexyl)amino]but-2-enyl]carbamate
CID 99799409
tert-butyl N-[3-bromo-2-methyl-2-(2-methylpropoxy)propyl]carbamate
CID 114772777
tert-butyl N-[3-bromo-2-[2-(cyclobutylmethoxy)ethoxy]-2-methylpropyl]carbamate
CID 165489441
tert-butyl N-[2-[(3-methoxycyclopentyl)amino]ethyl]carbamate
CID 103081858
tert-butyl N-[3-bromo-2-[(2-tert-butylcyclopropyl)methoxy]-2-methylpropyl]carbamate
CID 165489760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate?
The IUPAC name of tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate (CID 165493541) is tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate is COC1CCC(OC(C)(CBr)CNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate?
The InChIKey is YDHINAHYPFTHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BrNO4/c1-15(2,3)22-14(19)18-11-16(4,10-17)21-13-8-6-12(20-5)7-9-13/h12-13H,6-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate?
tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate has a molecular weight of 380.32 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-bromo-2-(4-methoxycyclohexyl)oxy-2-methylpropyl]carbamate is sourced from PubChem (CID 165493541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).