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

C21H20N4O5 — CID 1420648

IUPACN-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(NC(C)=O)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H20N4O5/c1-3-30-17-10-8-16(9-11-17)25-20(28)18(19(27)24-21(25)29)12-22-14-4-6-15(7-5-14)23-13(2)26/h4-12,28H,3H2,1-2H3,(H,23,26)(H,24,27,29)/b22-12+
InChIKeyZEGFYVLBGTUUKP-WSDLNYQXSA-N
MW408.41 g/mol
LogP2.34
Rot. Bonds6

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

N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide (PubChem CID 1420648) has the molecular formula C21H20N4O5 and a molecular weight of 408.41 g/mol. Its IUPAC name is N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide
PubChem CID1420648
Molecular FormulaC21H20N4O5
Molecular Weight408.41 g/mol
Exact Mass408.14
IUPAC NameN-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide
SMILESCCOc1ccc(-n2c(O)c(/C=N/c3ccc(NC(C)=O)cc3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C21H20N4O5/c1-3-30-17-10-8-16(9-11-17)25-20(28)18(19(27)24-21(25)29)12-22-14-4-6-15(7-5-14)23-13(2)26/h4-12,28H,3H2,1-2H3,(H,23,26)(H,24,27,29)/b22-12+
InChIKeyZEGFYVLBGTUUKP-WSDLNYQXSA-N
XLogP2.34
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide (CID 1420648) is N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide is CCOc1ccc(-n2c(O)c(/C=N/c3ccc(NC(C)=O)cc3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
The InChIKey is ZEGFYVLBGTUUKP-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H20N4O5/c1-3-30-17-10-8-16(9-11-17)25-20(28)18(19(27)24-21(25)29)12-22-14-4-6-15(7-5-14)23-13(2)26/h4-12,28H,3H2,1-2H3,(H,23,26)(H,24,27,29)/b22-12+.
What are the key properties of N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide has a molecular weight of 408.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(4-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 1420648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).