4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide

C25H29N3O5 — CID 162065441

IUPAC4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide
SMILESC=C(CCCC)Oc1ccc2c(C(=O)c3cc(N)c(O)c(N)c3)c(CCCC(N)=O)oc2c1
InChIInChI=1S/C25H29N3O5/c1-3-4-6-14(2)32-16-9-10-17-21(13-16)33-20(7-5-8-22(28)29)23(17)24(30)15-11-18(26)25(31)19(27)12-15/h9-13,31H,2-8,26-27H2,1H3,(H2,28,29)
InChIKeyARIZKKVHAUUJSP-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.42
Rot. Bonds11

About 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide

4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide (PubChem CID 162065441) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide.

Molecular Properties

Compound Name4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide
PubChem CID162065441
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC Name4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide
SMILESC=C(CCCC)Oc1ccc2c(C(=O)c3cc(N)c(O)c(N)c3)c(CCCC(N)=O)oc2c1
InChIInChI=1S/C25H29N3O5/c1-3-4-6-14(2)32-16-9-10-17-21(13-16)33-20(7-5-8-22(28)29)23(17)24(30)15-11-18(26)25(31)19(27)12-15/h9-13,31H,2-8,26-27H2,1H3,(H2,28,29)
InChIKeyARIZKKVHAUUJSP-UHFFFAOYSA-N
XLogP4.42
TPSA154.80 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[3-(4-hydroxy-3,5-diiodobenzoyl)-6-(3-phenylprop-1-en-2-yloxy)-1-benzofuran-2-yl]hexanamide
CID 161035221
(3,5-diamino-4-hydroxyphenyl)-[6-(2-phenylethoxy)-2-propyl-1-benzofuran-3-yl]methanone
CID 139569302
[2-(3-amino-3-oxopropyl)-3-(3,5-diaminobenzoyl)-1-benzofuran-6-yl] benzoate
CID 153349801
(3,5-diamino-4-hydroxyphenyl)-[6-(3-phenylpropyl)-2-propyl-1-benzofuran-3-yl]methanone;(3,5-dibromo-4-hydroxyphenyl)-[6-(3-phenylpropyl)-2-propyl-1-benzofuran-3-yl]methanone;(4-hydroxy-3,5-diiodophenyl)-[6-(3-phenylpropyl)-2-propyl-1-benzofuran-3-yl]methanone
CID 159458102
(5-amino-2-butyl-1-benzofuran-3-yl)-(4-methoxyphenyl)methanone
CID 70653167
[3-(3,5-diaminobenzoyl)-5-hydroxy-2-pentyl-1-benzofuran-6-yl] benzoate
CID 153349782
(5-amino-2-butyl-1-benzofuran-3-yl)-[4-(3-chloropropoxy)phenyl]methanone
CID 56926412
(4-butoxyphenyl)-(2-butyl-5-methyl-1-benzofuran-3-yl)methanone
CID 71263713
(3,5-dibromo-4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)-(2-ethyl-6-hydroxy-1-benzofuran-3-yl)methanone
CID 169442050
(6-bromo-2-ethyl-1-benzofuran-3-yl)-(3,5-dibromo-4-hydroxyphenyl)methanone
CID 71512090
(3,5-diamino-4-hydroxyphenyl)-[5-hydroxy-6-(4-hydroxybutyl)-2-pentyl-1-benzofuran-3-yl]methanone;(3,5-dibromo-4-hydroxyphenyl)-[5-hydroxy-6-(4-hydroxybutyl)-2-pentyl-1-benzofuran-3-yl]methanone;1-[2-ethyl-5-hydroxy-3-(4-hydroxy-3,5-diiodobenzoyl)-1-benzofuran-6-yl]-3-phenylpropan-2-one;(4-hydroxy-3,5-diiodophenyl)-[5-hydroxy-6-(4-hydroxybutyl)-2-pentyl-1-benzofuran-3-yl]methanone
CID 160852502
2-butyl-3-[4-[3-(dibutylamino)propoxy]benzoyl]-1-benzofuran-5-carboxamide
CID 10207559

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide?
The IUPAC name of 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide (CID 162065441) is 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide.
What is the SMILES notation for 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide?
The canonical SMILES for 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide is C=C(CCCC)Oc1ccc2c(C(=O)c3cc(N)c(O)c(N)c3)c(CCCC(N)=O)oc2c1.
What is the InChIKey of 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide?
The InChIKey is ARIZKKVHAUUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-3-4-6-14(2)32-16-9-10-17-21(13-16)33-20(7-5-8-22(28)29)23(17)24(30)15-11-18(26)25(31)19(27)12-15/h9-13,31H,2-8,26-27H2,1H3,(H2,28,29).
What are the key properties of 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide?
4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide has a molecular weight of 451.52 g/mol, XLogP of 4.42, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,5-diamino-4-hydroxybenzoyl)-6-hex-1-en-2-yloxy-1-benzofuran-2-yl]butanamide is sourced from PubChem (CID 162065441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).