(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C19H23N3O5 — CID 121119227

IUPAC(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCn2cnc(C)cc2=O)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-13-9-18(24)22(12-21-13)8-7-20-17(23)6-5-14-10-15(25-2)19(27-4)16(11-14)26-3/h5-6,9-12H,7-8H2,1-4H3,(H,20,23)/b6-5+
InChIKeyHMCIZSZVXFLYDB-AATRIKPKSA-N
MW373.41 g/mol
LogP1.41
Rot. Bonds8

About (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 121119227) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID121119227
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCn2cnc(C)cc2=O)cc(OC)c1OC
InChIInChI=1S/C19H23N3O5/c1-13-9-18(24)22(12-21-13)8-7-20-17(23)6-5-14-10-15(25-2)19(27-4)16(11-14)26-3/h5-6,9-12H,7-8H2,1-4H3,(H,20,23)/b6-5+
InChIKeyHMCIZSZVXFLYDB-AATRIKPKSA-N
XLogP1.41
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122277211
(E)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 122280480
(E)-3-(furan-2-yl)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]prop-2-enamide
CID 86263711
(Z)-N-[2-[5-[(4-methylphenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 40908463
(E)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 121119594
3-(3,4-dimethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]prop-2-enamide
CID 91939092
(E)-N-[2-(3-pyridin-2-ylpyrazol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90588381
N-(4-pyrrolidin-1-ylbutyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75355316
(E)-N-but-3-ynyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90537887
N-decyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75211078
N-[2-(2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3655068
N-[2-[5-[(2-fluorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 71962154

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 121119227) is (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCCn2cnc(C)cc2=O)cc(OC)c1OC.
What is the InChIKey of (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is HMCIZSZVXFLYDB-AATRIKPKSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-13-9-18(24)22(12-21-13)8-7-20-17(23)6-5-14-10-15(25-2)19(27-4)16(11-14)26-3/h5-6,9-12H,7-8H2,1-4H3,(H,20,23)/b6-5+.
What are the key properties of (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 373.41 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 121119227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).