tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate

C24H30N4O5 — CID 71113062

IUPACtert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Oc2ccc3c(c2)C2(CCC2)OC3)nc1
InChIInChI=1S/C24H30N4O5/c1-5-19(28-22(30)33-23(2,3)4)20(29)27-16-12-25-21(26-13-16)32-17-8-7-15-14-31-24(9-6-10-24)18(15)11-17/h7-8,11-13,19H,5-6,9-10,14H2,1-4H3,(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyRFFHURKASDQZRP-LJQANCHMSA-N
MW454.53 g/mol
LogP4.42
Rot. Bonds6

About tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate

tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate (PubChem CID 71113062) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate
PubChem CID71113062
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Nametert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Oc2ccc3c(c2)C2(CCC2)OC3)nc1
InChIInChI=1S/C24H30N4O5/c1-5-19(28-22(30)33-23(2,3)4)20(29)27-16-12-25-21(26-13-16)32-17-8-7-15-14-31-24(9-6-10-24)18(15)11-17/h7-8,11-13,19H,5-6,9-10,14H2,1-4H3,(H,27,29)(H,28,30)/t19-/m1/s1
InChIKeyRFFHURKASDQZRP-LJQANCHMSA-N
XLogP4.42
TPSA111.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2R)-1-[[2-[4-methyl-3-(trifluoromethoxy)phenoxy]pyrimidin-5-yl]amino]-1-oxobutan-2-yl]carbamate
CID 70975813
tert-butyl N-[(2R)-1-[[5-(3-methoxy-4-methylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 146265174
tert-butyl N-[(2R)-1-oxo-1-[[2-[(3,3,7-trimethyl-2H-1-benzofuran-4-yl)oxy]pyrimidin-5-yl]amino]butan-2-yl]carbamate
CID 86698457
tert-butyl N-[(2R)-1-[[6-(4-cyano-3-ethylphenoxy)-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 71004465
tert-butyl N-[(2R)-1-[[(1E,3Z)-1-amino-5-[(3,3-dimethyl-1H-2-benzofuran-5-yl)oxy]hexa-1,3,5-trien-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 89285479
tert-butyl N-[(2S)-1-[4-(3,4-dichlorophenyl)anilino]-1-oxobutan-2-yl]carbamate
CID 155748235
tert-butyl N-[(2R)-1-[[6-[(2-tert-butyl-4-cyanophenyl)methyl]-3-pyridinyl]amino]-1-oxobutan-2-yl]carbamate
CID 130468131
1-methyl-6-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrimidin-2-yl]oxyindole-2-carboxylic acid
CID 141331062
methyl 2-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]butanoate
CID 107243083
tert-butyl N-[1-[4-fluoro-2-(pyridin-3-ylamino)anilino]-1-oxobutan-2-yl]carbamate
CID 77456075
tert-butyl N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 22501705
2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoylamino]benzoic acid
CID 123748568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate (CID 71113062) is tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnc(Oc2ccc3c(c2)C2(CCC2)OC3)nc1.
What is the InChIKey of tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate?
The InChIKey is RFFHURKASDQZRP-LJQANCHMSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-5-19(28-22(30)33-23(2,3)4)20(29)27-16-12-25-21(26-13-16)32-17-8-7-15-14-31-24(9-6-10-24)18(15)11-17/h7-8,11-13,19H,5-6,9-10,14H2,1-4H3,(H,27,29)(H,28,30)/t19-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate?
tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate has a molecular weight of 454.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-1-oxo-1-[(2-spiro[1H-2-benzofuran-3,1'-cyclobutane]-5-yloxypyrimidin-5-yl)amino]butan-2-yl]carbamate is sourced from PubChem (CID 71113062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).