(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

C18H21N3O3 — CID 121119594

IUPAC(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCc1cc(=O)n(CCNC(=O)/C=C/c2ccc(OC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-3-15-12-18(23)21(13-20-15)11-10-19-17(22)9-6-14-4-7-16(24-2)8-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,22)/b9-6+
InChIKeyFPAZVEOVGBURIY-RMKNXTFCSA-N
MW327.38 g/mol
LogP1.64
Rot. Bonds7

About (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 121119594) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID121119594
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCCc1cc(=O)n(CCNC(=O)/C=C/c2ccc(OC)cc2)cn1
InChIInChI=1S/C18H21N3O3/c1-3-15-12-18(23)21(13-20-15)11-10-19-17(22)9-6-14-4-7-16(24-2)8-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,22)/b9-6+
InChIKeyFPAZVEOVGBURIY-RMKNXTFCSA-N
XLogP1.64
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121119868
(E)-3-(4-methoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 121121112
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)prop-2-enoylamino]ethyl]prop-2-enamide
CID 2933087
(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 121119227
(E)-3-(4-methoxyphenyl)-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]prop-2-enamide
CID 121033283
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-phenylphenoxy)acetamide
CID 121119766
3-(4-methoxyphenyl)-N-(3-methylbutyl)prop-2-enamide
CID 3985990
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 121064463
(E)-N-(2-chloroethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 6434079
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
3-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 2097972
3-(4-methoxyphenyl)-N-[2-[4-[3-(4-methoxyphenyl)prop-2-enoyl]piperazin-1-yl]ethyl]prop-2-enamide
CID 1008919

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 121119594) is (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is CCc1cc(=O)n(CCNC(=O)/C=C/c2ccc(OC)cc2)cn1.
What is the InChIKey of (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is FPAZVEOVGBURIY-RMKNXTFCSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-15-12-18(23)21(13-20-15)11-10-19-17(22)9-6-14-4-7-16(24-2)8-5-14/h4-9,12-13H,3,10-11H2,1-2H3,(H,19,22)/b9-6+.
What are the key properties of (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 121119594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).