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

C23H28N4O4 — CID 135521685

IUPACN-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
SMILESCCCCCCn1c(O)c(/C=C2\N=c3ccccc3=C2CCNC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O4/c1-3-4-5-8-13-27-22(30)18(21(29)26-23(27)31)14-20-17(11-12-24-15(2)28)16-9-6-7-10-19(16)25-20/h6-7,9-10,14,30H,3-5,8,11-13H2,1-2H3,(H,24,28)(H,26,29,31)/b20-14-
InChIKeyKOKTUBWEVDUVLC-ZHZULCJRSA-N
MW424.50 g/mol
LogP1.17
Rot. Bonds9

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

N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide (PubChem CID 135521685) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
PubChem CID135521685
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
SMILESCCCCCCn1c(O)c(/C=C2\N=c3ccccc3=C2CCNC(C)=O)c(=O)[nH]c1=O
InChIInChI=1S/C23H28N4O4/c1-3-4-5-8-13-27-22(30)18(21(29)26-23(27)31)14-20-17(11-12-24-15(2)28)16-9-6-7-10-19(16)25-20/h6-7,9-10,14,30H,3-5,8,11-13H2,1-2H3,(H,24,28)(H,26,29,31)/b20-14-
InChIKeyKOKTUBWEVDUVLC-ZHZULCJRSA-N
XLogP1.17
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2Z)-2-[(1-heptyl-6-hydroxy-4-oxo-2-sulfanylidenepyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 135795868
N-[2-[2-[(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide
CID 1422174
N-[2-[(2Z)-2-[[6-hydroxy-4-oxo-1-(2-phenylethyl)-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
CID 135469864
N-[2-[(2Z)-2-[[1-(2-ethoxyphenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylidene]indol-3-yl]ethyl]acetamide
CID 135420738
N-[2-[(2Z)-2-[[6-hydroxy-1-(3-methylphenyl)-4-oxo-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]propanamide
CID 135474014
N-[2-[(2Z)-2-[[6-hydroxy-4-oxo-1-(2-phenylethyl)-2-sulfanylidenepyrimidin-5-yl]methylidene]indol-3-yl]ethyl]-N-methylacetamide
CID 135795874
4-[2-[(2Z)-2-[(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethylamino]-4-oxobutanoate
CID 135974419
1-hexyl-6-hydroxy-5-[(E)-(2-phenylindol-3-ylidene)methyl]pyrimidine-2,4-dione
CID 135822357
1-ethyl-3-[2-[2-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]thiourea
CID 2024389
1-hexyl-6-hydroxy-5-(pyrrol-2-ylidenemethyl)pyrimidine-2,4-dione
CID 137035009
N-[(E)-(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135717455
N-[(E)-(1-butyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]heptanamide
CID 135440854

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide (CID 135521685) is N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide is CCCCCCn1c(O)c(/C=C2\N=c3ccccc3=C2CCNC(C)=O)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
The InChIKey is KOKTUBWEVDUVLC-ZHZULCJRSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-3-4-5-8-13-27-22(30)18(21(29)26-23(27)31)14-20-17(11-12-24-15(2)28)16-9-6-7-10-19(16)25-20/h6-7,9-10,14,30H,3-5,8,11-13H2,1-2H3,(H,24,28)(H,26,29,31)/b20-14-.
What are the key properties of N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide?
N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2Z)-2-[(1-hexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylidene]indol-3-yl]ethyl]acetamide is sourced from PubChem (CID 135521685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).