(2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate

C38H51N3O4 — CID 91992076

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
SMILESCC1(C)CC(OC(=O)Nc2ccc(Cc3ccc(NC(=O)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)CC(C)(C)N1
InChIInChI=1S/C38H51N3O4/c1-35(2,3)27-15-20-32(31(22-27)36(4,5)6)45-34(43)40-29-18-13-26(14-19-29)21-25-11-16-28(17-12-25)39-33(42)44-30-23-37(7,8)41-38(9,10)24-30/h11-20,22,30,41H,21,23-24H2,1-10H3,(H,39,42)(H,40,43)
InChIKeyZYDWYKXIFBRGRW-UHFFFAOYSA-N
MW613.84 g/mol
LogP9.34
Rot. Bonds6

About (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate

(2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate (PubChem CID 91992076) has the molecular formula C38H51N3O4 and a molecular weight of 613.84 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
PubChem CID91992076
Molecular FormulaC38H51N3O4
Molecular Weight613.84 g/mol
Exact Mass613.39
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate
SMILESCC1(C)CC(OC(=O)Nc2ccc(Cc3ccc(NC(=O)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)CC(C)(C)N1
InChIInChI=1S/C38H51N3O4/c1-35(2,3)27-15-20-32(31(22-27)36(4,5)6)45-34(43)40-29-18-13-26(14-19-29)21-25-11-16-28(17-12-25)39-33(42)44-30-23-37(7,8)41-38(9,10)24-30/h11-20,22,30,41H,21,23-24H2,1-10H3,(H,39,42)(H,40,43)
InChIKeyZYDWYKXIFBRGRW-UHFFFAOYSA-N
XLogP9.34
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.84
LogP ≤ 59.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate with MolForge

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Related Compounds

CID 59112165
CID 59112165
(2,4-ditert-butylphenyl) 3,5-ditert-butylbenzoate
CID 15501021
(2,4-ditert-butylphenyl) 2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate
CID 14832985
(2-tert-butylphenyl) N-phenylcarbamate
CID 681743
azetidin-3-yl N-[4-(trifluoromethyl)phenyl]carbamate
CID 79338363
[(1S,2R)-2-methylcyclohexyl] N-[4-[[4-[[(1S,2R)-2-methylcyclohexyl]oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 124919110
(2,2,6,6-tetramethylpiperidin-4-yl) 4-[(2-cyanoacetyl)amino]benzoate
CID 168524256
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] N-[4-[[4-[[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 89121058
2-(2,4-ditert-butylphenoxy)-N-(4-phenoxyphenyl)acetamide
CID 17356474
[2-tert-butyl-4-(2-methylbutan-2-yl)phenyl] methyl carbonate
CID 138660138
tert-butyl N-[4-[[4-[[4-(N-[4-(N-(4-tert-butylphenyl)anilino)phenyl]anilino)phenoxy]carbonylamino]phenyl]methyl]phenyl]carbamate
CID 129018163
2-(2,4-ditert-butylphenoxy)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 17179725

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate (CID 91992076) is (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate is CC1(C)CC(OC(=O)Nc2ccc(Cc3ccc(NC(=O)Oc4ccc(C(C)(C)C)cc4C(C)(C)C)cc3)cc2)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
The InChIKey is ZYDWYKXIFBRGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N3O4/c1-35(2,3)27-15-20-32(31(22-27)36(4,5)6)45-34(43)40-29-18-13-26(14-19-29)21-25-11-16-28(17-12-25)39-33(42)44-30-23-37(7,8)41-38(9,10)24-30/h11-20,22,30,41H,21,23-24H2,1-10H3,(H,39,42)(H,40,43).
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate?
(2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate has a molecular weight of 613.84 g/mol, XLogP of 9.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) N-[4-[[4-[(2,4-ditert-butylphenoxy)carbonylamino]phenyl]methyl]phenyl]carbamate is sourced from PubChem (CID 91992076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).