N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide

C20H18N4O5 — CID 1415936

IUPACN-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
SMILESCCOc1ccc(-n2c(O)c(C=NNC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O5/c1-2-29-15-10-8-14(9-11-15)24-19(27)16(18(26)22-20(24)28)12-21-23-17(25)13-6-4-3-5-7-13/h3-12,27H,2H2,1H3,(H,23,25)(H,22,26,28)
InChIKeyOALHAVXXKDXIFO-UHFFFAOYSA-N
MW394.39 g/mol
LogP1.39
Rot. Bonds6

About N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide

N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide (PubChem CID 1415936) has the molecular formula C20H18N4O5 and a molecular weight of 394.39 g/mol. Its IUPAC name is N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide.

Molecular Properties

Compound NameN-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
PubChem CID1415936
Molecular FormulaC20H18N4O5
Molecular Weight394.39 g/mol
Exact Mass394.13
IUPAC NameN-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
SMILESCCOc1ccc(-n2c(O)c(C=NNC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C20H18N4O5/c1-2-29-15-10-8-14(9-11-15)24-19(27)16(18(26)22-20(24)28)12-21-23-17(25)13-6-4-3-5-7-13/h3-12,27H,2H2,1H3,(H,23,25)(H,22,26,28)
InChIKeyOALHAVXXKDXIFO-UHFFFAOYSA-N
XLogP1.39
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5Z)-3-(3,4-dimethylphenyl)-5-{[(4-ethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1399126
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-(4-ethoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 659890
(5Z)-5-{[(4-methoxyphenyl)amino]methylidene}-1-(4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2244543
(5Z)-3-(3,5-dimethylphenyl)-5-{[(4-ethoxyphenyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3823792
3-[(4-Acetylamino-benzoyl)-hydrazono]-N-(4-benzyloxy-phenyl)-butyramide
CID 9591956
N'-{(E)-[1-(4-methoxybenzyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene]methyl}benzohydrazide
CID 135470005
(5E)-6-hydroxy-3-(4-methoxyphenyl)-5-[1-(2-phenylhydrazinyl)propylidene]pyrimidine-2,4(3H,5H)-dione
CID 135450481
2-(4-ethoxyphenyl)-3-hydroxy-4-[(E)-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)hydrazinylidene]methyl]isoquinolin-1-one
CID 135520052
1-(3,4-dimethylphenyl)-5-{[2-(4-methoxyphenyl)hydrazino]methylene}-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 135521530
6-hydroxy-5-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-1-(3-methylphenyl)pyrimidine-2,4-dione
CID 135455175
(Z)-N-(4-(((1-(4-ethoxyphenyl)-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)amino)phenyl)acetamide
CID 1420648
(5E)-1-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 135477979

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The IUPAC name of N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide (CID 1415936) is N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide.
What is the SMILES notation for N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The canonical SMILES for N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide is CCOc1ccc(-n2c(O)c(C=NNC(=O)c3ccccc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
The InChIKey is OALHAVXXKDXIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O5/c1-2-29-15-10-8-14(9-11-15)24-19(27)16(18(26)22-20(24)28)12-21-23-17(25)13-6-4-3-5-7-13/h3-12,27H,2H2,1H3,(H,23,25)(H,22,26,28).
What are the key properties of N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide?
N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide has a molecular weight of 394.39 g/mol, XLogP of 1.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide is sourced from PubChem (CID 1415936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).