tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate

C37H38N4O7 — CID 67687065

IUPACtert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H38N4O7/c1-36(2,3)47-34(45)40-29-19-11-25(12-20-29)32(43)38-27-15-7-23(8-16-27)31(42)24-9-17-28(18-10-24)39-33(44)26-13-21-30(22-14-26)41-35(46)48-37(4,5)6/h7-22H,1-6H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)
InChIKeyXIFYYGBBCSKUDQ-UHFFFAOYSA-N
MW650.73 g/mol
LogP8.12
Rot. Bonds8

About tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate

tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate (PubChem CID 67687065) has the molecular formula C37H38N4O7 and a molecular weight of 650.73 g/mol. Its IUPAC name is tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
PubChem CID67687065
Molecular FormulaC37H38N4O7
Molecular Weight650.73 g/mol
Exact Mass650.27
IUPAC Nametert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)cc2)cc1
InChIInChI=1S/C37H38N4O7/c1-36(2,3)47-34(45)40-29-19-11-25(12-20-29)32(43)38-27-15-7-23(8-16-27)31(42)24-9-17-28(18-10-24)39-33(44)26-13-21-30(22-14-26)41-35(46)48-37(4,5)6/h7-22H,1-6H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46)
InChIKeyXIFYYGBBCSKUDQ-UHFFFAOYSA-N
XLogP8.12
TPSA151.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.73
LogP ≤ 58.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-[(3-iodophenyl)carbamoyl]phenyl]carbamate
CID 26245474
tert-butyl N-[4-[[4-[[(3E)-hexa-1,3,5-trien-3-yl]amino]phenyl]carbamoyl]phenyl]carbamate
CID 157043838
tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
CID 55804923
tert-butyl N-[4-[2-[(4-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl]carbamate
CID 55736690
tert-butyl N-[4-[(3-hydroxybenzoyl)amino]phenyl]carbamate
CID 131844196
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
tert-butyl N-[4-(pyridin-1-ium-1-ylcarbamoyl)phenyl]carbamate
CID 162767912
tert-butyl N-[4-[(3-sulfamoylphenyl)carbamoyl]phenyl]carbamate
CID 9068676
tert-butyl N-[4-[4-chloro-3-(trifluoromethyl)benzoyl]phenyl]carbamate
CID 153379653
bis[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] benzene-1,4-dicarboxylate
CID 168866198
tert-butyl N-[4-(2-chloroacetyl)phenyl]carbamate
CID 74788467
tert-butyl N-[4-[amino(methyl)carbamoyl]phenyl]carbamate
CID 22419684

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate (CID 67687065) is tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)c3ccc(NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)cc3)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate?
The InChIKey is XIFYYGBBCSKUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H38N4O7/c1-36(2,3)47-34(45)40-29-19-11-25(12-20-29)32(43)38-27-15-7-23(8-16-27)31(42)24-9-17-28(18-10-24)39-33(44)26-13-21-30(22-14-26)41-35(46)48-37(4,5)6/h7-22H,1-6H3,(H,38,43)(H,39,44)(H,40,45)(H,41,46).
What are the key properties of tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate?
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate has a molecular weight of 650.73 g/mol, XLogP of 8.12, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 67687065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).