tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate

C26H28N2O2 — CID 46854610

IUPACtert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
SMILESCC(C)=C(c1ccncc1)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)24(22-14-16-27-17-15-22)21-8-6-19(7-9-21)20-10-12-23(13-11-20)28-25(29)30-26(3,4)5/h6-17H,1-5H3,(H,28,29)
InChIKeyZHAKRSNTPRJVEC-UHFFFAOYSA-N
MW400.52 g/mol
LogP6.94
Rot. Bonds4

About tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate

tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate (PubChem CID 46854610) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
PubChem CID46854610
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Nametert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate
SMILESCC(C)=C(c1ccncc1)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1
InChIInChI=1S/C26H28N2O2/c1-18(2)24(22-14-16-27-17-15-22)21-8-6-19(7-9-21)20-10-12-23(13-11-20)28-25(29)30-26(3,4)5/h6-17H,1-5H3,(H,28,29)
InChIKeyZHAKRSNTPRJVEC-UHFFFAOYSA-N
XLogP6.94
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-[4-(2-deuteriopyrimidin-4-yl)phenyl]carbamate
CID 175733927
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridin-4-ylphenyl]carbamate
CID 58164084
tert-butyl N-[4-(2-amino-4-pyridinyl)phenyl]carbamate
CID 140874182
tert-butyl N-[4-(4-acetylphenyl)sulfanylphenyl]carbamate
CID 134492131
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]benzoic acid
CID 53218486
[4-[1-[4-(2,2-dimethylpropanoyloxy)phenyl]-2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-1-enyl]phenyl] 2,2-dimethylpropanoate
CID 140787869
tert-butyl N-[3-[[4-(pyridin-4-ylamino)phenyl]carbamoyl]phenyl]carbamate
CID 166833071
tert-butyl N-[4-[[4-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]benzoyl]phenyl]carbamoyl]phenyl]carbamate
CID 67687065
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-4-oxobutanoic acid
CID 59558859
5-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyridine-2-carboxylic acid
CID 53224655
tert-butyl N-[2-[2-oxo-2-(4-pyridin-4-ylphenyl)ethyl]phenyl]carbamate
CID 159441655

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate (CID 46854610) is tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate is CC(C)=C(c1ccncc1)c1ccc(-c2ccc(NC(=O)OC(C)(C)C)cc2)cc1.
What is the InChIKey of tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate?
The InChIKey is ZHAKRSNTPRJVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-18(2)24(22-14-16-27-17-15-22)21-8-6-19(7-9-21)20-10-12-23(13-11-20)28-25(29)30-26(3,4)5/h6-17H,1-5H3,(H,28,29).
What are the key properties of tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate?
tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate has a molecular weight of 400.52 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[4-(2-methyl-1-pyridin-4-ylprop-1-enyl)phenyl]phenyl]carbamate is sourced from PubChem (CID 46854610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).