N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide

C25H24N4O5 — CID 135420738

IUPACN-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
SMILESCCOc1ccccc1-n1c(O)c(/C=C2\N=c3ccccc3=C2CCNC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C25H24N4O5/c1-3-34-22-11-7-6-10-21(22)29-24(32)18(23(31)28-25(29)33)14-20-17(12-13-26-15(2)30)16-8-4-5-9-19(16)27-20/h4-11,14,32H,3,12-13H2,1-2H3,(H,26,30)(H,28,31,33)/b20-14-
InChIKeyGQRSLQLKRILABO-ZHZULCJRSA-N
MW460.49 g/mol
LogP0.98
Rot. Bonds7

About N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide

N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide (PubChem CID 135420738) has the molecular formula C25H24N4O5 and a molecular weight of 460.49 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
PubChem CID135420738
Molecular FormulaC25H24N4O5
Molecular Weight460.49 g/mol
Exact Mass460.17
IUPAC NameN-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
SMILESCCOc1ccccc1-n1c(O)c(/C=C2\N=c3ccccc3=C2CCNC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C25H24N4O5/c1-3-34-22-11-7-6-10-21(22)29-24(32)18(23(31)28-25(29)33)14-20-17(12-13-26-15(2)30)16-8-4-5-9-19(16)27-20/h4-11,14,32H,3,12-13H2,1-2H3,(H,26,30)(H,28,31,33)/b20-14-
InChIKeyGQRSLQLKRILABO-ZHZULCJRSA-N
XLogP0.98
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide (CID 135420738) is N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide is CCOc1ccccc1-n1c(O)c(/C=C2\N=c3ccccc3=C2CCNC(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide?
The InChIKey is GQRSLQLKRILABO-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H24N4O5/c1-3-34-22-11-7-6-10-21(22)29-24(32)18(23(31)28-25(29)33)14-20-17(12-13-26-15(2)30)16-8-4-5-9-19(16)27-20/h4-11,14,32H,3,12-13H2,1-2H3,(H,26,30)(H,28,31,33)/b20-14-.
What are the key properties of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide?
N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide has a molecular weight of 460.49 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 135420738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).