tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate

C22H34N2O4 — CID 86651609

IUPACtert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate
SMILESCCC1(CC)OC(=O)N(CCC(C)(C)NC(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C22H34N2O4/c1-8-22(9-2)16-12-10-11-13-17(16)24(19(26)28-22)15-14-21(6,7)23-18(25)27-20(3,4)5/h10-13H,8-9,14-15H2,1-7H3,(H,23,25)
InChIKeyGKSFKTVHQHRDSE-UHFFFAOYSA-N
MW390.52 g/mol
LogP5.35
Rot. Bonds6

About tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate

tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate (PubChem CID 86651609) has the molecular formula C22H34N2O4 and a molecular weight of 390.52 g/mol. Its IUPAC name is tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate
PubChem CID86651609
Molecular FormulaC22H34N2O4
Molecular Weight390.52 g/mol
Exact Mass390.25
IUPAC Nametert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate
SMILESCCC1(CC)OC(=O)N(CCC(C)(C)NC(=O)OC(C)(C)C)c2ccccc21
InChIInChI=1S/C22H34N2O4/c1-8-22(9-2)16-12-10-11-13-17(16)24(19(26)28-22)15-14-21(6,7)23-18(25)27-20(3,4)5/h10-13H,8-9,14-15H2,1-7H3,(H,23,25)
InChIKeyGKSFKTVHQHRDSE-UHFFFAOYSA-N
XLogP5.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate with MolForge

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Related Compounds

N-[2-hydroxy-5-[1-hydroxy-2-[[2-methyl-4-(2-oxo-4,4-dipropyl-3,1-benzoxazin-1-yl)butan-2-yl]amino]ethyl]phenyl]methanesulfonamide;hydrobromide
CID 68706241
tert-butyl N-[3-(4-methylphenyl)sulfanyl-2-oxo-1-propylindol-3-yl]carbamate
CID 146166817
tert-butyl N-[3-(4-chlorophenyl)sulfanyl-2-oxo-1-propylindol-3-yl]carbamate
CID 146166823
tert-butyl N-[(3R)-1-methyl-2-oxo-3-prop-2-enoxyindol-3-yl]carbamate
CID 102106113
tert-butyl N-[1-benzyl-3-(3-ethyl-2-oxo-1-benzofuran-3-yl)-2-oxoindol-3-yl]carbamate
CID 132560059
tert-butyl N-(1-benzyl-2-oxo-3-prop-2-enylindol-3-yl)carbamate
CID 102198631
tert-butyl N-[(3S)-3-(2,5-dioxo-1-phenylpyrrol-3-yl)-1-ethyl-2-oxoindol-3-yl]carbamate
CID 139191989
tert-butyl N-[1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]carbamate
CID 135027360
N-[5-[(1R)-2-[[4-(4,4-dimethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]amino]-1-hydroxyethyl]-2-hydroxyphenyl]methanesulfonamide
CID 24745524
tert-butyl N-[2-methyl-1-(1-oxo-3,4-dihydroisoquinolin-2-yl)propan-2-yl]carbamate
CID 46942049
ethyl 2-cyano-6-(1,3-dioxoisoindol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 54539883
tert-butyl N-[4-[(5-iodo-2-pyridinyl)amino]-2-methylbutan-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate (CID 86651609) is tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate is CCC1(CC)OC(=O)N(CCC(C)(C)NC(=O)OC(C)(C)C)c2ccccc21.
What is the InChIKey of tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate?
The InChIKey is GKSFKTVHQHRDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4/c1-8-22(9-2)16-12-10-11-13-17(16)24(19(26)28-22)15-14-21(6,7)23-18(25)27-20(3,4)5/h10-13H,8-9,14-15H2,1-7H3,(H,23,25).
What are the key properties of tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate?
tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate has a molecular weight of 390.52 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(4,4-diethyl-2-oxo-3,1-benzoxazin-1-yl)-2-methylbutan-2-yl]carbamate is sourced from PubChem (CID 86651609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).