tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate

C24H24N2O4 — CID 177164498

IUPACtert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate
SMILESCC(=O)c1ncccc1-c1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-16(27)22-20(11-8-14-25-22)19-13-12-17(26-23(28)30-24(2,3)4)15-21(19)29-18-9-6-5-7-10-18/h5-15H,1-4H3,(H,26,28)
InChIKeyCHELWKDMVOOOKJ-UHFFFAOYSA-N
MW404.47 g/mol
LogP6.09
Rot. Bonds5

About tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate

tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate (PubChem CID 177164498) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate
PubChem CID177164498
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Nametert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate
SMILESCC(=O)c1ncccc1-c1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-16(27)22-20(11-8-14-25-22)19-13-12-17(26-23(28)30-24(2,3)4)15-21(19)29-18-9-6-5-7-10-18/h5-15H,1-4H3,(H,26,28)
InChIKeyCHELWKDMVOOOKJ-UHFFFAOYSA-N
XLogP6.09
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(2-acetyl-4-pyridinyl)carbamate
CID 69108642
tert-butyl N-[3-methyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl]carbamate
CID 132820274
tert-butyl N-[3-[(2-chloro-4-pyridinyl)oxy]phenyl]carbamate
CID 91109215
tert-butyl N-(4-pyrimidin-4-yloxyphenyl)carbamate
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tert-butyl N-(3-pyridin-2-ylphenyl)carbamate
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3-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyridine-2-carboxylic acid
CID 12017234
tert-butyl N-[3-[[6-(4-phenoxyphenoxy)pyrimidin-4-yl]amino]phenyl]carbamate
CID 70843625
tert-butyl N-[4-(isoquinoline-1-carbonylamino)phenyl]carbamate
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tert-butyl N-[3-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)phenyl]carbamate
CID 113083018
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
tert-butyl N-[4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]carbamate
CID 46900574
tert-butyl N-[4-[(E)-3-(3-methyl-2-pyridinyl)-3-oxoprop-1-enyl]phenyl]carbamate
CID 154644634

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate?
The IUPAC name of tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate (CID 177164498) is tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate is CC(=O)c1ncccc1-c1ccc(NC(=O)OC(C)(C)C)cc1Oc1ccccc1.
What is the InChIKey of tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate?
The InChIKey is CHELWKDMVOOOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-16(27)22-20(11-8-14-25-22)19-13-12-17(26-23(28)30-24(2,3)4)15-21(19)29-18-9-6-5-7-10-18/h5-15H,1-4H3,(H,26,28).
What are the key properties of tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate?
tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate has a molecular weight of 404.47 g/mol, XLogP of 6.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(2-acetyl-3-pyridinyl)-3-phenoxyphenyl]carbamate is sourced from PubChem (CID 177164498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).