tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate

C24H25N3O4 — CID 146265063

IUPACtert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cccc(Oc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C24H25N3O4/c1-24(2,3)31-23(29)25-16-21(28)26-20-14-9-15-22(27-20)30-19-13-8-7-12-18(19)17-10-5-4-6-11-17/h4-15H,16H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyWHYWJCAEZYFRDQ-UHFFFAOYSA-N
MW419.48 g/mol
LogP5.00
Rot. Bonds6

About tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate

tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate (PubChem CID 146265063) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate
PubChem CID146265063
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Nametert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)Nc1cccc(Oc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C24H25N3O4/c1-24(2,3)31-23(29)25-16-21(28)26-20-14-9-15-22(27-20)30-19-13-8-7-12-18(19)17-10-5-4-6-11-17/h4-15H,16H2,1-3H3,(H,25,29)(H,26,27,28)
InChIKeyWHYWJCAEZYFRDQ-UHFFFAOYSA-N
XLogP5.00
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.48
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(7-methyl-1,8-naphthyridin-2-yl)amino]-2-oxoethyl]carbamate
CID 101036428
tert-butyl N-[2-(2,6-diethylanilino)-2-oxoethyl]carbamate
CID 112997331
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
tert-butyl N-[2-[2-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]carbamate
CID 108917414
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830
tert-butyl N-[2-oxo-2-[2-(2,2,2-trifluoroethoxy)anilino]ethyl]carbamate
CID 60596060
tert-butyl N-[2-[5-(hydroxymethyl)-4-phenylpyrazol-1-yl]ethyl]carbamate
CID 134499343
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[3-(2-phenylanilino)propyl]carbamate
CID 113269142
2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]pyridine-3-carboxylic acid
CID 156529146
tert-butyl N-[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]carbamate
CID 108916974
tert-butyl N-[2-[2-[[(E)-but-2-enoyl]amino]anilino]-2-oxoethyl]carbamate
CID 108917462

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate (CID 146265063) is tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)Nc1cccc(Oc2ccccc2-c2ccccc2)n1.
What is the InChIKey of tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate?
The InChIKey is WHYWJCAEZYFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-24(2,3)31-23(29)25-16-21(28)26-20-14-9-15-22(27-20)30-19-13-8-7-12-18(19)17-10-5-4-6-11-17/h4-15H,16H2,1-3H3,(H,25,29)(H,26,27,28).
What are the key properties of tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate?
tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate has a molecular weight of 419.48 g/mol, XLogP of 5.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-oxo-2-[[6-(2-phenylphenoxy)-2-pyridinyl]amino]ethyl]carbamate is sourced from PubChem (CID 146265063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).