tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate

C18H34N2O3 — CID 107255685

IUPACtert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
SMILESCC(C)CC(C)NC1C(NC(=O)OC(C)(C)C)C2CCCOC21
InChIInChI=1S/C18H34N2O3/c1-11(2)10-12(3)19-15-14(13-8-7-9-22-16(13)15)20-17(21)23-18(4,5)6/h11-16,19H,7-10H2,1-6H3,(H,20,21)
InChIKeySDXKKKXZDWOMAL-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.08
Rot. Bonds5

About tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate

tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate (PubChem CID 107255685) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
PubChem CID107255685
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
SMILESCC(C)CC(C)NC1C(NC(=O)OC(C)(C)C)C2CCCOC21
InChIInChI=1S/C18H34N2O3/c1-11(2)10-12(3)19-15-14(13-8-7-9-22-16(13)15)20-17(21)23-18(4,5)6/h11-16,19H,7-10H2,1-6H3,(H,20,21)
InChIKeySDXKKKXZDWOMAL-UHFFFAOYSA-N
XLogP3.08
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[7-(pentan-2-ylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255519
4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]amino]pentanoic acid
CID 107255454
tert-butyl N-[7-(hexan-2-ylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255449
tert-butyl N-[8-(2-ethylbutylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255699
tert-butyl N-[8-(oxolan-2-ylmethylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255651
tert-butyl N-[8-(pentylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255644
tert-butyl N-[8-(piperidin-4-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255663
tert-butyl N-[8-[(3-methyloxetan-3-yl)methylamino]-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255683
tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255518
tert-butyl N-[8-(thiolan-3-ylmethylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255682
tert-butyl N-[2-(4-methylpentan-2-ylamino)cyclopropyl]carbamate
CID 107238063
tert-butyl N-[3-(4-methylpentan-2-ylamino)cyclopentyl]carbamate
CID 79461433

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate (CID 107255685) is tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate is CC(C)CC(C)NC1C(NC(=O)OC(C)(C)C)C2CCCOC21.
What is the InChIKey of tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate?
The InChIKey is SDXKKKXZDWOMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-11(2)10-12(3)19-15-14(13-8-7-9-22-16(13)15)20-17(21)23-18(4,5)6/h11-16,19H,7-10H2,1-6H3,(H,20,21).
What are the key properties of tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate?
tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate has a molecular weight of 326.48 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[8-(4-methylpentan-2-ylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate is sourced from PubChem (CID 107255685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).