(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide

C21H25N3O3 — CID 20701411

IUPAC(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCCNC(=O)COc1cccc(CCNC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C21H25N3O3/c1-2-11-23-21(26)16-27-19-7-3-5-17(14-19)10-13-24-20(25)9-8-18-6-4-12-22-15-18/h3-9,12,14-15H,2,10-11,13,16H2,1H3,(H,23,26)(H,24,25)/b9-8+
InChIKeyYFGICDSUCOPXHC-CMDGGOBGSA-N
MW367.45 g/mol
LogP2.36
Rot. Bonds10

About (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 20701411) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
PubChem CID20701411
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
SMILESCCCNC(=O)COc1cccc(CCNC(=O)/C=C/c2cccnc2)c1
InChIInChI=1S/C21H25N3O3/c1-2-11-23-21(26)16-27-19-7-3-5-17(14-19)10-13-24-20(25)9-8-18-6-4-12-22-15-18/h3-9,12,14-15H,2,10-11,13,16H2,1H3,(H,23,26)(H,24,25)/b9-8+
InChIKeyYFGICDSUCOPXHC-CMDGGOBGSA-N
XLogP2.36
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3-prop-2-enoxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701388
(E)-N-[2-(4-propan-2-yloxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 33159916
2-[3-(hydroxymethyl)phenoxy]-N-propylacetamide
CID 28561994
(E)-N-[2-hydroxy-2-[3-(2-oxopropoxy)phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701386
2-[3-(methylaminomethyl)phenoxy]-N-propylacetamide
CID 43278288
(E)-N-[2-(2,4-dihydroxyphenyl)ethyl]-3-pyridin-3-ylprop-2-enamide
CID 20701349
(E)-N-(2-hydroxyethyl)-3-pyridin-3-ylprop-2-enamide
CID 43416816
(Z)-3-pyridin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]prop-2-enamide
CID 98518017
(E)-3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 27396984
(E)-N-[6-(5-butoxyindol-1-yl)hexyl]-3-pyridin-3-ylprop-2-enamide
CID 156629323
3-pyridin-3-yl-N-(3-sulfonylpropyl)prop-2-enamide
CID 173201309
methyl 2-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]acetate
CID 43423203

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide (CID 20701411) is (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide is CCCNC(=O)COc1cccc(CCNC(=O)/C=C/c2cccnc2)c1.
What is the InChIKey of (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is YFGICDSUCOPXHC-CMDGGOBGSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-2-11-23-21(26)16-27-19-7-3-5-17(14-19)10-13-24-20(25)9-8-18-6-4-12-22-15-18/h3-9,12,14-15H,2,10-11,13,16H2,1H3,(H,23,26)(H,24,25)/b9-8+.
What are the key properties of (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[3-[2-oxo-2-(propylamino)ethoxy]phenyl]ethyl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 20701411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).