(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide

C17H18N2O2 — CID 39498979

IUPAC(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)Oc1ccccc1NC(=O)/C=C/c1ccncc1
InChIInChI=1S/C17H18N2O2/c1-13(2)21-16-6-4-3-5-15(16)19-17(20)8-7-14-9-11-18-12-10-14/h3-13H,1-2H3,(H,19,20)/b8-7+
InChIKeyXFTHRHSPEVJJFZ-BQYQJAHWSA-N
MW282.34 g/mol
LogP3.52
Rot. Bonds5

About (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide

(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide (PubChem CID 39498979) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide
PubChem CID39498979
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide
SMILESCC(C)Oc1ccccc1NC(=O)/C=C/c1ccncc1
InChIInChI=1S/C17H18N2O2/c1-13(2)21-16-6-4-3-5-15(16)19-17(20)8-7-14-9-11-18-12-10-14/h3-13H,1-2H3,(H,19,20)/b8-7+
InChIKeyXFTHRHSPEVJJFZ-BQYQJAHWSA-N
XLogP3.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(3-amino-4-fluorophenyl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39456289
(E)-3-(5-bromothiophen-2-yl)-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498177
(E)-3-[4-methoxy-3-(methylsulfamoyl)phenyl]-N-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 39498249
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
3-(4-fluorophenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4047659
(E)-N-[2-(2-imidazol-1-ylethoxy)phenyl]-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 166192411
N-(2-acetylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 75981698
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
(E)-N-[2-(difluoromethoxy)phenyl]-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 37313804
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(3-pyridin-4-yloxyphenyl)prop-2-enamide
CID 72691590
(E)-N-(4-propan-2-ylphenyl)-3-pyridin-4-ylprop-2-enamide
CID 34908465
(E)-N-(2-formylphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 89064888

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide?
The IUPAC name of (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide (CID 39498979) is (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide?
The canonical SMILES for (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide is CC(C)Oc1ccccc1NC(=O)/C=C/c1ccncc1.
What is the InChIKey of (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide?
The InChIKey is XFTHRHSPEVJJFZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13(2)21-16-6-4-3-5-15(16)19-17(20)8-7-14-9-11-18-12-10-14/h3-13H,1-2H3,(H,19,20)/b8-7+.
What are the key properties of (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide?
(E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-propan-2-yloxyphenyl)-3-pyridin-4-ylprop-2-enamide is sourced from PubChem (CID 39498979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).