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

C18H16N4O5 — CID 1383385

IUPACN-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H16N4O5/c1-11(23)20-13-6-4-12(5-7-13)19-9-15-16(24)21-18(26)22(17(15)25)10-14-3-2-8-27-14/h2-9,25H,10H2,1H3,(H,20,23)(H,21,24,26)/b19-9+
InChIKeyGSVKDAYOQFEOIG-DJKKODMXSA-N
MW368.35 g/mol
LogP1.59
Rot. Bonds5

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

N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide (PubChem CID 1383385) has the molecular formula C18H16N4O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide
PubChem CID1383385
Molecular FormulaC18H16N4O5
Molecular Weight368.35 g/mol
Exact Mass368.11
IUPAC NameN-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C18H16N4O5/c1-11(23)20-13-6-4-12(5-7-13)19-9-15-16(24)21-18(26)22(17(15)25)10-14-3-2-8-27-14/h2-9,25H,10H2,1H3,(H,20,23)(H,21,24,26)/b19-9+
InChIKeyGSVKDAYOQFEOIG-DJKKODMXSA-N
XLogP1.59
TPSA129.69 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.59
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-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide (CID 1383385) is N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2c(O)n(Cc3ccco3)c(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
The InChIKey is GSVKDAYOQFEOIG-DJKKODMXSA-N. The full InChI is InChI=1S/C18H16N4O5/c1-11(23)20-13-6-4-12(5-7-13)19-9-15-16(24)21-18(26)22(17(15)25)10-14-3-2-8-27-14/h2-9,25H,10H2,1H3,(H,20,23)(H,21,24,26)/b19-9+.
What are the key properties of N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide?
N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide has a molecular weight of 368.35 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(furan-2-ylmethyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]acetamide is sourced from PubChem (CID 1383385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).