(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide

C15H19N3O3 — CID 137034895

IUPAC(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C1=NCCCN1)=C(/C)O
InChIInChI=1S/C15H19N3O3/c1-10(19)13(14-16-8-5-9-17-14)15(20)18-11-6-3-4-7-12(11)21-2/h3-4,6-7,19H,5,8-9H2,1-2H3,(H,16,17)(H,18,20)/b13-10-
InChIKeyOBQCPJDGVNZNOQ-RAXLEYEMSA-N
MW289.33 g/mol
LogP1.86
Rot. Bonds4

About (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide

(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide (PubChem CID 137034895) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide.

Molecular Properties

Compound Name(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
PubChem CID137034895
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
SMILESCOc1ccccc1NC(=O)/C(C1=NCCCN1)=C(/C)O
InChIInChI=1S/C15H19N3O3/c1-10(19)13(14-16-8-5-9-17-14)15(20)18-11-6-3-4-7-12(11)21-2/h3-4,6-7,19H,5,8-9H2,1-2H3,(H,16,17)(H,18,20)/b13-10-
InChIKeyOBQCPJDGVNZNOQ-RAXLEYEMSA-N
XLogP1.86
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide with MolForge

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Related Compounds

(Z)-3-hydroxy-N-(4-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
CID 137034892
N'-(3-hydroxy-2-pyridinyl)-N-(2-methoxyphenyl)oxamide
CID 11087413
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
1-(3,4-dihydro-2H-pyrrol-5-yl)-3-(2-methoxyphenyl)-1-(4-methylphenyl)urea
CID 18575211
(Z)-N,N-diethyl-3-hydroxy-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide
CID 137034911
N-(2-methoxyphenyl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 550974
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
N',N'-diethyl-N-(2-methoxyphenyl)oxamide
CID 47335830
N-(2-methoxyphenyl)-N'-(6-methyl-2-pyridinyl)oxamide
CID 44997668
1-(2,3-dihydro-1H-indol-4-yl)-3-(2-methoxyphenyl)urea
CID 66613515
3-(2-methoxyphenyl)-1,1-dimethylurea
CID 4216204
ethane;(2-methoxyphenyl)urea
CID 143063924

Frequently Asked Questions

What is the IUPAC name of (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
The IUPAC name of (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide (CID 137034895) is (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide.
What is the SMILES notation for (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
The canonical SMILES for (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide is COc1ccccc1NC(=O)/C(C1=NCCCN1)=C(/C)O.
What is the InChIKey of (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
The InChIKey is OBQCPJDGVNZNOQ-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(19)13(14-16-8-5-9-17-14)15(20)18-11-6-3-4-7-12(11)21-2/h3-4,6-7,19H,5,8-9H2,1-2H3,(H,16,17)(H,18,20)/b13-10-.
What are the key properties of (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide?
(Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide has a molecular weight of 289.33 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-hydroxy-N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)but-2-enamide is sourced from PubChem (CID 137034895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).