(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide

C24H24N2O2 — CID 20701438

IUPAC(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(Oc2cccc(CCN(C)C(=O)/C=C/c3cccnc3)c2)cc1
InChIInChI=1S/C24H24N2O2/c1-19-8-11-22(12-9-19)28-23-7-3-5-20(17-23)14-16-26(2)24(27)13-10-21-6-4-15-25-18-21/h3-13,15,17-18H,14,16H2,1-2H3/b13-10+
InChIKeyHOABYUXBSKRCLR-JLHYYAGUSA-N
MW372.47 g/mol
LogP4.90
Rot. Bonds7

About (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 20701438) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID20701438
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCc1ccc(Oc2cccc(CCN(C)C(=O)/C=C/c3cccnc3)c2)cc1
InChIInChI=1S/C24H24N2O2/c1-19-8-11-22(12-9-19)28-23-7-3-5-20(17-23)14-16-26(2)24(27)13-10-21-6-4-15-25-18-21/h3-13,15,17-18H,14,16H2,1-2H3/b13-10+
InChIKeyHOABYUXBSKRCLR-JLHYYAGUSA-N
XLogP4.90
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3,5-dimethoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701385
(E)-N-[2-(3-hydroxy-4-methoxyphenyl)ethyl]-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 20701398
N-methyl-N-[2-(3-methylphenyl)ethyl]-2-oxoacetamide
CID 115166756
N-(2-hydroxypropyl)-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 76940045
(E)-N-methyl-3-phenyl-N-(2-phenylethyl)prop-2-enamide
CID 11184674
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(3-methylphenyl)prop-2-enamide
CID 9468468
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-3-pyridin-3-ylprop-2-enamide
CID 85054999
(E)-3-(3-aminophenyl)-N-methyl-N-(2-phenylethyl)prop-2-enamide
CID 115343324
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
CID 67952576
(E)-3-(5-chloro-3-pyridinyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylprop-2-enamide
CID 20701327
(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388

Frequently Asked Questions

What is the IUPAC name of (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide (CID 20701438) is (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide is Cc1ccc(Oc2cccc(CCN(C)C(=O)/C=C/c3cccnc3)c2)cc1.
What is the InChIKey of (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is HOABYUXBSKRCLR-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-19-8-11-22(12-9-19)28-23-7-3-5-20(17-23)14-16-26(2)24(27)13-10-21-6-4-15-25-18-21/h3-13,15,17-18H,14,16H2,1-2H3/b13-10+.
What are the key properties of (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 372.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methyl-N-[2-[3-(4-methylphenoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 20701438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).