tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate

C24H40N4O6 — CID 177332428

IUPACtert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1cc(NC(=O)OC(C)(C)C)cc(N2CCOCC2)n1
InChIInChI=1S/C24H40N4O6/c1-16(25-21(29)33-23(3,4)5)17(2)32-15-19-13-18(27-22(30)34-24(6,7)8)14-20(26-19)28-9-11-31-12-10-28/h13-14,16-17H,9-12,15H2,1-8H3,(H,25,29)(H,26,27,30)/t16-,17-/m1/s1
InChIKeyMVPNYRFHQPYBFY-IAGOWNOFSA-N
MW480.61 g/mol
LogP4.08
Rot. Bonds7

About tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate

tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate (PubChem CID 177332428) has the molecular formula C24H40N4O6 and a molecular weight of 480.61 g/mol. Its IUPAC name is tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate
PubChem CID177332428
Molecular FormulaC24H40N4O6
Molecular Weight480.61 g/mol
Exact Mass480.29
IUPAC Nametert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate
SMILESC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1cc(NC(=O)OC(C)(C)C)cc(N2CCOCC2)n1
InChIInChI=1S/C24H40N4O6/c1-16(25-21(29)33-23(3,4)5)17(2)32-15-19-13-18(27-22(30)34-24(6,7)8)14-20(26-19)28-9-11-31-12-10-28/h13-14,16-17H,9-12,15H2,1-8H3,(H,25,29)(H,26,27,30)/t16-,17-/m1/s1
InChIKeyMVPNYRFHQPYBFY-IAGOWNOFSA-N
XLogP4.08
TPSA111.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[6-(1,4-oxazocan-4-yl)-2-pyridinyl]carbamate
CID 139373537
tert-butyl N-[6-(morpholin-4-ylmethyl)-2-pyridinyl]carbamate
CID 67025080
tert-butyl N-[3-(2-morpholin-4-ylethyl)phenyl]carbamate
CID 59777100
tert-butyl N-[1-[4-[2-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-ylpyrimidin-4-yl]piperazin-1-yl]-1-oxopropan-2-yl]carbamate
CID 69081160
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxopentan-2-yl]carbamate
CID 76787165
tert-butyl N-[3-(2-morpholin-4-ylethoxy)-5-(trifluoromethoxy)phenyl]carbamate
CID 131743232
tert-butyl N-[6-(2-morpholin-4-ylanilino)-3-pyridinyl]carbamate
CID 113021128
tert-butyl N-[3-methyl-1-(2-morpholin-4-ylanilino)-1-oxobutan-2-yl]carbamate
CID 110425333
tert-butyl N-[(1S)-1-[8-methyl-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]quinolin-3-yl]ethyl]carbamate
CID 140576929
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
CID 68753649

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate (CID 177332428) is tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate is C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1cc(NC(=O)OC(C)(C)C)cc(N2CCOCC2)n1.
What is the InChIKey of tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate?
The InChIKey is MVPNYRFHQPYBFY-IAGOWNOFSA-N. The full InChI is InChI=1S/C24H40N4O6/c1-16(25-21(29)33-23(3,4)5)17(2)32-15-19-13-18(27-22(30)34-24(6,7)8)14-20(26-19)28-9-11-31-12-10-28/h13-14,16-17H,9-12,15H2,1-8H3,(H,25,29)(H,26,27,30)/t16-,17-/m1/s1.
What are the key properties of tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate?
tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate has a molecular weight of 480.61 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[(2R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxymethyl]-6-morpholin-4-yl-4-pyridinyl]carbamate is sourced from PubChem (CID 177332428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).