tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate

C18H34N2O3 — CID 103921711

IUPACtert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1C2CCCOC2C1(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-16(2,3)23-15(21)20-17(4,5)11-19-13-12-9-8-10-22-14(12)18(13,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyZIDUKWALFKADRA-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.08
Rot. Bonds4

About tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate

tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate (PubChem CID 103921711) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate
PubChem CID103921711
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate
SMILESCC(C)(CNC1C2CCCOC2C1(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C18H34N2O3/c1-16(2,3)23-15(21)20-17(4,5)11-19-13-12-9-8-10-22-14(12)18(13,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21)
InChIKeyZIDUKWALFKADRA-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[1-[[(1S,5R,6S)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl]amino]-2-methylpropan-2-yl]carbamate
CID 99851463
tert-butyl 2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]acetate
CID 81463041
tert-butyl N-[2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]cyclopropyl]carbamate
CID 107237597
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113352197
3-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N,N-dimethylpropanamide
CID 64864982
2-amino-N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-3-methoxypropanamide;hydrochloride
CID 120990883
7,7-dimethyl-N-(2-methyl-2-methylsulfonylpropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 79558104
tert-butyl 3-[[(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104538167
2-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-N-(2-methylpropyl)acetamide
CID 112568428
tert-butyl N-[8-[(3-methyloxetan-3-yl)methylamino]-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255683
tert-butyl N-[1-[(3-methoxycyclohexyl)amino]-2-methylpropan-2-yl]carbamate
CID 104624820
N-(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)-N',N'-dimethylbutane-1,4-diamine
CID 64864993

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate (CID 103921711) is tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate is CC(C)(CNC1C2CCCOC2C1(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate?
The InChIKey is ZIDUKWALFKADRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-16(2,3)23-15(21)20-17(4,5)11-19-13-12-9-8-10-22-14(12)18(13,6)7/h12-14,19H,8-11H2,1-7H3,(H,20,21).
What are the key properties of tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate?
tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2-methylpropan-2-yl]carbamate is sourced from PubChem (CID 103921711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).