tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate

C26H36N2O6 — CID 15294700

IUPACtert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C(O)C(O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C26H36N2O6/c1-25(2,3)33-23(31)27-19(17-13-9-7-10-14-17)21(29)22(30)20(18-15-11-8-12-16-18)28-24(32)34-26(4,5)6/h7-16,19-22,29-30H,1-6H3,(H,27,31)(H,28,32)
InChIKeyWDSLERQRUKIOGY-UHFFFAOYSA-N
MW472.58 g/mol
LogP4.24
Rot. Bonds7

About tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate

tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate (PubChem CID 15294700) has the molecular formula C26H36N2O6 and a molecular weight of 472.58 g/mol. Its IUPAC name is tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
PubChem CID15294700
Molecular FormulaC26H36N2O6
Molecular Weight472.58 g/mol
Exact Mass472.26
IUPAC Nametert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)C(O)C(O)C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C26H36N2O6/c1-25(2,3)33-23(31)27-19(17-13-9-7-10-14-17)21(29)22(30)20(18-15-11-8-12-16-18)28-24(32)34-26(4,5)6/h7-16,19-22,29-30H,1-6H3,(H,27,31)(H,28,32)
InChIKeyWDSLERQRUKIOGY-UHFFFAOYSA-N
XLogP4.24
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.58
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(2-amino-2-hydroxy-1-phenylethyl)carbamate
CID 20805642
(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
CID 7010686
2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid
CID 56828048
tert-butyl N-[(1R,2R)-2-amino-1-phenylpropyl]carbamate
CID 102077726
tert-butyl N-(2-methyl-3-oxo-1-phenylpropyl)carbamate
CID 24788666
tert-butyl N-[(1R)-2,2-dicyano-1-phenylethyl]carbamate
CID 122398460
tert-butyl N-(2-ethyl-1-phenylbutyl)carbamate
CID 18378512
tert-butyl N-(2-fluoro-3-oxo-1,3-diphenylpropyl)carbamate
CID 135034070
methyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoate
CID 56636219
(1S,2R)-1-amino-1-phenylpropan-2-ol;tert-butyl N-[(1S,2R)-2-hydroxy-1-phenylpropyl]carbamate
CID 157326736
tert-butyl N-[(1R,2R)-2-nitro-1-phenylpropyl]carbamate
CID 102077718
tert-butyl N-[(1S,2S)-3-(benzenesulfonyl)-2-hydroxy-1-phenylpropyl]carbamate
CID 11069210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate (CID 15294700) is tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)C(O)C(O)C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate?
The InChIKey is WDSLERQRUKIOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O6/c1-25(2,3)33-23(31)27-19(17-13-9-7-10-14-17)21(29)22(30)20(18-15-11-8-12-16-18)28-24(32)34-26(4,5)6/h7-16,19-22,29-30H,1-6H3,(H,27,31)(H,28,32).
What are the key properties of tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate?
tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate has a molecular weight of 472.58 g/mol, XLogP of 4.24, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2,3-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-diphenylbutyl]carbamate is sourced from PubChem (CID 15294700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).