N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide

C26H26N4O5 — CID 135795782

IUPACN-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide
SMILESCCOc1ccccc1-n1c(O)c(/C=C2\N=c3c(C)cccc3=C2CCNC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C26H26N4O5/c1-4-35-22-11-6-5-10-21(22)30-25(33)19(24(32)29-26(30)34)14-20-17(12-13-27-16(3)31)18-9-7-8-15(2)23(18)28-20/h5-11,14,33H,4,12-13H2,1-3H3,(H,27,31)(H,29,32,34)/b20-14-
InChIKeyCNLJGKAPYIVOHT-ZHZULCJRSA-N
MW474.52 g/mol
LogP1.29
Rot. Bonds7

About N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide

N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide (PubChem CID 135795782) has the molecular formula C26H26N4O5 and a molecular weight of 474.52 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide
PubChem CID135795782
Molecular FormulaC26H26N4O5
Molecular Weight474.52 g/mol
Exact Mass474.19
IUPAC NameN-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide
SMILESCCOc1ccccc1-n1c(O)c(/C=C2\N=c3c(C)cccc3=C2CCNC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C26H26N4O5/c1-4-35-22-11-6-5-10-21(22)30-25(33)19(24(32)29-26(30)34)14-20-17(12-13-27-16(3)31)18-9-7-8-15(2)23(18)28-20/h5-11,14,33H,4,12-13H2,1-3H3,(H,27,31)(H,29,32,34)/b20-14-
InChIKeyCNLJGKAPYIVOHT-ZHZULCJRSA-N
XLogP1.29
TPSA125.78 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
CID 135420738
N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 1422174
N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 135521685
N-[2-[(2Z)-2-[(1-heptyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 135795868
N-[2-[(2Z)-2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]-7-methylindol-3-yl]ethyl]butanamide
CID 135795778
N-[2-[(2Z)-2-[[6-hydroxy-4-oxo-1-(2-phenylethyl)-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
CID 135469864
5-[(2-ethoxyphenyl)iminomethyl]-6-hydroxy-1-(2-methylphenyl)pyrimidine-2,4-dione
CID 135784312
N-[2-[(2Z)-2-[[6-hydroxy-1-(3-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]propanamide
CID 135474014
2-chloro-N-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]benzamide
CID 2024283
1-(2-ethoxyphenyl)-5-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]-pyridin-2-ylmethyl]-6-hydroxypyrimidine-2,4-dione
CID 124530437
1-(2-ethoxyphenyl)-5-[N-[(4-fluorophenyl)methyl]-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 1491924
4-[2-[(2Z)-2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethylamino]-4-oxobutanoate
CID 135974419

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide (CID 135795782) is N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-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]-7-methylindol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide is CCOc1ccccc1-n1c(O)c(/C=C2\N=c3c(C)cccc3=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]-7-methylindol-3-yl]ethyl]acetamide?
The InChIKey is CNLJGKAPYIVOHT-ZHZULCJRSA-N. The full InChI is InChI=1S/C26H26N4O5/c1-4-35-22-11-6-5-10-21(22)30-25(33)19(24(32)29-26(30)34)14-20-17(12-13-27-16(3)31)18-9-7-8-15(2)23(18)28-20/h5-11,14,33H,4,12-13H2,1-3H3,(H,27,31)(H,29,32,34)/b20-14-.
What are the key properties of N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide?
N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]-7-methylindol-3-yl]ethyl]acetamide has a molecular weight of 474.52 g/mol, XLogP of 1.29, 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]-7-methylindol-3-yl]ethyl]acetamide is sourced from PubChem (CID 135795782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).