tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate

C24H24N2O3 — CID 159441655

IUPACtert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CC(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H24N2O3/c1-24(2,3)29-23(28)26-21-7-5-4-6-20(21)16-22(27)19-10-8-17(9-11-19)18-12-14-25-15-13-18/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyVQNQPCIQIRTGEF-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.52
Rot. Bonds5

About tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate

tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate (PubChem CID 159441655) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
PubChem CID159441655
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Nametert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1CC(=O)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C24H24N2O3/c1-24(2,3)29-23(28)26-21-7-5-4-6-20(21)16-22(27)19-10-8-17(9-11-19)18-12-14-25-15-13-18/h4-15H,16H2,1-3H3,(H,26,28)
InChIKeyVQNQPCIQIRTGEF-UHFFFAOYSA-N
XLogP5.52
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-[2-[2-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-oxoethyl]-4-pyridin-4-ylphenyl]carbamate
CID 159344285
tert-butyl N-[4-[2-[4-(hydroxymethyl)phenyl]-2-oxoethyl]thiophen-3-yl]carbamate
CID 58208093
tert-butyl N-[2-(3-hydroxypropyl)phenyl]carbamate
CID 23021010
tert-butyl N-(2-oxoazepin-3-yl)carbamate
CID 21224786
tert-butyl N-[2-[(2,2-dimethylpropylamino)methyl]phenyl]carbamate
CID 71729413
tert-butyl N-[2-[(propan-2-ylamino)methyl]phenyl]carbamate
CID 59237466
tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
CID 46854610
tert-butyl N-(4-cyclopropyl-2-phenacylphenyl)carbamate
CID 131731722
8-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-7-oxooctanoic acid
CID 58119937
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[4-fluoro-2-[[3-oxo-3-(3-pyridin-4-ylphenyl)propanoyl]amino]phenyl]carbamate
CID 86589224

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate (CID 159441655) is tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1CC(=O)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate?
The InChIKey is VQNQPCIQIRTGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-24(2,3)29-23(28)26-21-7-5-4-6-20(21)16-22(27)19-10-8-17(9-11-19)18-12-14-25-15-13-18/h4-15H,16H2,1-3H3,(H,26,28).
What are the key properties of tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate?
tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate has a molecular weight of 388.47 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate is sourced from PubChem (CID 159441655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).