tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate

C26H30N4O7 — CID 91354186

IUPACtert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)C(O)C2OCCN(c3ccc4c(c3)C(=O)NC4)C2=O)cc1
InChIInChI=1S/C26H30N4O7/c1-26(2,3)37-25(35)28-13-15-4-7-17(8-5-15)29-23(33)20(31)21-24(34)30(10-11-36-21)18-9-6-16-14-27-22(32)19(16)12-18/h4-9,12,20-21,31H,10-11,13-14H2,1-3H3,(H,27,32)(H,28,35)(H,29,33)
InChIKeyPUDILVIZYSMLOF-UHFFFAOYSA-N
MW510.55 g/mol
LogP1.69
Rot. Bonds6

About tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate

tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate (PubChem CID 91354186) has the molecular formula C26H30N4O7 and a molecular weight of 510.55 g/mol. Its IUPAC name is tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate
PubChem CID91354186
Molecular FormulaC26H30N4O7
Molecular Weight510.55 g/mol
Exact Mass510.21
IUPAC Nametert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)C(O)C2OCCN(c3ccc4c(c3)C(=O)NC4)C2=O)cc1
InChIInChI=1S/C26H30N4O7/c1-26(2,3)37-25(35)28-13-15-4-7-17(8-5-15)29-23(33)20(31)21-24(34)30(10-11-36-21)18-9-6-16-14-27-22(32)19(16)12-18/h4-9,12,20-21,31H,10-11,13-14H2,1-3H3,(H,27,32)(H,28,35)(H,29,33)
InChIKeyPUDILVIZYSMLOF-UHFFFAOYSA-N
XLogP1.69
TPSA146.30 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3-oxo-1,2-dihydroisoindol-5-yl)methyl]carbamate
CID 67259861
methyl 2-[[3-[(2R)-2-[(1R)-2-[4-[(aminooxycarbonylamino)methyl]anilino]-1-hydroxy-2-oxoethyl]-3-oxomorpholin-4-yl]benzoyl]-methylamino]acetate
CID 118501201
N-[4-(aminomethyl)phenyl]-2-hydroxy-2-[4-(2-methyl-1-oxo-3H-isoindol-5-yl)-3-oxomorpholin-2-yl]acetamide
CID 67221522
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 46222375
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562853
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 67222335
[2-cyano-5-[[(2R)-2-hydroxy-2-[(2R)-3-oxo-4-(2-oxo-1H-quinolin-7-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]carbamic acid
CID 67223467
N-(4-carbamimidoylphenyl)-2-[(2R)-4-(4-ethylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide;hydrochloride
CID 140562852
tert-butyl N-[[4-(2-methylmorpholin-4-yl)phenyl]methyl]carbamate
CID 139523201
(2R)-N-(4-carbamimidoylphenyl)-2-hydroxy-2-[(2R)-4-[4-(hydroxymethyl)phenyl]-3-oxomorpholin-2-yl]acetamide;hydrochloride
CID 67222073
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
CID 58290450
N-[3-(aminomethyl)-4-cyanophenyl]-2-[(2R)-4-(4-tert-butylphenyl)-3-oxomorpholin-2-yl]-2-hydroxyacetamide
CID 140562743

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate (CID 91354186) is tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(O)C2OCCN(c3ccc4c(c3)C(=O)NC4)C2=O)cc1.
What is the InChIKey of tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate?
The InChIKey is PUDILVIZYSMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O7/c1-26(2,3)37-25(35)28-13-15-4-7-17(8-5-15)29-23(33)20(31)21-24(34)30(10-11-36-21)18-9-6-16-14-27-22(32)19(16)12-18/h4-9,12,20-21,31H,10-11,13-14H2,1-3H3,(H,27,32)(H,28,35)(H,29,33).
What are the key properties of tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate?
tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate has a molecular weight of 510.55 g/mol, XLogP of 1.69, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[[2-hydroxy-2-[3-oxo-4-(3-oxo-1,2-dihydroisoindol-5-yl)morpholin-2-yl]acetyl]amino]phenyl]methyl]carbamate is sourced from PubChem (CID 91354186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).