tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate

C26H28N2O3 — CID 25186226

IUPACtert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-26(2,3)31-25(30)27-18-19-14-16-22(17-15-19)28-24(29)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPEJBZVFZXNESEV-UHFFFAOYSA-N
MW416.52 g/mol
LogP5.48
Rot. Bonds6

About tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate

tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate (PubChem CID 25186226) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate
PubChem CID25186226
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC Nametert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C26H28N2O3/c1-26(2,3)31-25(30)27-18-19-14-16-22(17-15-19)28-24(29)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3,(H,27,30)(H,28,29)
InChIKeyPEJBZVFZXNESEV-UHFFFAOYSA-N
XLogP5.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.52
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[4-[(2-fluorobenzoyl)amino]phenyl]methyl]carbamate
CID 54015016
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844
tert-butyl N-[2-[[4-(2-methylpropanoylamino)phenyl]methylamino]-2-oxoethyl]carbamate
CID 108917737
N-benzyl-4-[(2,2-diphenylacetyl)amino]benzamide
CID 22449907
tert-butyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 20739774
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]amino]benzoate
CID 26688501
tert-butyl N-[[4-[(4-iodophenyl)carbamoyl]phenyl]methyl]carbamate
CID 46525552
N-[4-[2-(2-methoxyethylamino)-2-oxoethyl]phenyl]-2,2-diphenylacetamide
CID 39231113
tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
N-[(4-tert-butylphenyl)methyl]-2,2-diphenylacetamide
CID 2225639
tert-butyl N-[[4-[(3-hydroxypyridine-2-carbonyl)amino]phenyl]methyl]carbamate
CID 171505071
tert-butyl N-[2-oxo-2-[[4-[(4-phenylbenzoyl)amino]phenyl]methylamino]ethyl]carbamate
CID 108917509

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate (CID 25186226) is tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate?
The InChIKey is PEJBZVFZXNESEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-26(2,3)31-25(30)27-18-19-14-16-22(17-15-19)28-24(29)23(20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17,23H,18H2,1-3H3,(H,27,30)(H,28,29).
What are the key properties of tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate?
tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate has a molecular weight of 416.52 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-[(2,2-diphenylacetyl)amino]phenyl]methyl]carbamate is sourced from PubChem (CID 25186226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).