(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C18H21N3O6 — CID 2148485

IUPAC(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6/c1-20-14(10-16(23)21(2)18(20)24)19-15(22)7-6-11-8-12(25-3)17(27-5)13(9-11)26-4/h6-10H,1-5H3,(H,19,22)/b7-6-
InChIKeyYPRFVGALQWEGPB-SREVYHEPSA-N
MW375.38 g/mol
LogP0.76
Rot. Bonds6

About (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 2148485) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID2148485
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC
InChIInChI=1S/C18H21N3O6/c1-20-14(10-16(23)21(2)18(20)24)19-15(22)7-6-11-8-12(25-3)17(27-5)13(9-11)26-4/h6-10H,1-5H3,(H,19,22)/b7-6-
InChIKeyYPRFVGALQWEGPB-SREVYHEPSA-N
XLogP0.76
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 2148485) is (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C\C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC.
What is the InChIKey of (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is YPRFVGALQWEGPB-SREVYHEPSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-20-14(10-16(23)21(2)18(20)24)19-15(22)7-6-11-8-12(25-3)17(27-5)13(9-11)26-4/h6-10H,1-5H3,(H,19,22)/b7-6-.
What are the key properties of (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 375.38 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2148485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).