tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate

C20H24N2O2 — CID 123401637

IUPACtert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
SMILESCc1ccc(C=Cc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cn1
InChIInChI=1S/C20H24N2O2/c1-15-6-7-17(14-21-15)9-8-16-10-12-18(13-11-16)22(5)19(23)24-20(2,3)4/h6-14H,1-5H3
InChIKeyAXVQZXZBPOMMIY-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.93
Rot. Bonds3

About tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate

tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate (PubChem CID 123401637) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
PubChem CID123401637
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nametert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate
SMILESCc1ccc(C=Cc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cn1
InChIInChI=1S/C20H24N2O2/c1-15-6-7-17(14-21-15)9-8-16-10-12-18(13-11-16)22(5)19(23)24-20(2,3)4/h6-14H,1-5H3
InChIKeyAXVQZXZBPOMMIY-UHFFFAOYSA-N
XLogP4.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[4-[2-[6-(dimethylamino)-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 123193480
tert-butyl N-[4-[2-(2-fluoro-3-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426644
tert-butyl N-[4-[(E)-2-[6-[2-[2-(2-(18F)fluoroethoxy)ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 88916794
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
ethyl (E)-3-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]prop-2-enoate
CID 149254408
tert-butyl N-[4-[2-(6-fluoro-2-pyridinyl)ethenyl]phenyl]-N-methylcarbamate
CID 77426720
tert-butyl N-[4-[(E)-2-[4-(1-ethoxyethyl)phenyl]ethenyl]phenyl]-N-methylcarbamate
CID 130215373
2-[2-[2-[[5-[2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 75218428
tert-butyl N-[4-[(E)-2-[6-[2-[2-[2-[2-[2-(2-fluoroethoxy)-3-[2-[2-[2-[2-[[5-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]-2-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-pyridinyl]ethenyl]phenyl]-N-methylcarbamate
CID 56850124
tert-butyl N-[4-(hydroxymethyl)phenyl]-N-methylcarbamate
CID 25187106
2-[2-[2-[4-[(E)-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]ethenyl]phenoxy]ethoxy]ethoxy]ethyl methanesulfinate
CID 130215393
tert-butyl N-[4-[2-[3-bromo-4-(2-fluoroethoxy)phenyl]ethenyl]phenyl]-N-methylcarbamate
CID 72570936

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate (CID 123401637) is tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate is Cc1ccc(C=Cc2ccc(N(C)C(=O)OC(C)(C)C)cc2)cn1.
What is the InChIKey of tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate?
The InChIKey is AXVQZXZBPOMMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-15-6-7-17(14-21-15)9-8-16-10-12-18(13-11-16)22(5)19(23)24-20(2,3)4/h6-14H,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate?
tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate has a molecular weight of 324.42 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[4-[2-(6-methyl-3-pyridinyl)ethenyl]phenyl]carbamate is sourced from PubChem (CID 123401637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).