(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide

C26H40N2O6 — CID 146530692

IUPAC(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide
SMILESC=C(O)/C=C\C(C)(CC)CC(=O)NCCCOCCOCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C26H40N2O6/c1-4-26(3,12-11-21(2)29)20-25(32)28-14-6-16-34-18-17-33-15-5-13-27-24(31)19-22-7-9-23(30)10-8-22/h7-12,29-30H,2,4-6,13-20H2,1,3H3,(H,27,31)(H,28,32)/b12-11-
InChIKeyAPFWVQYRVIKDBN-QXMHVHEDSA-N
MW476.61 g/mol
LogP3.41
Rot. Bonds18

About (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide

(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide (PubChem CID 146530692) has the molecular formula C26H40N2O6 and a molecular weight of 476.61 g/mol. Its IUPAC name is (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide
PubChem CID146530692
Molecular FormulaC26H40N2O6
Molecular Weight476.61 g/mol
Exact Mass476.29
IUPAC Name(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide
SMILESC=C(O)/C=C\C(C)(CC)CC(=O)NCCCOCCOCCCNC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C26H40N2O6/c1-4-26(3,12-11-21(2)29)20-25(32)28-14-6-16-34-18-17-33-15-5-13-27-24(31)19-22-7-9-23(30)10-8-22/h7-12,29-30H,2,4-6,13-20H2,1,3H3,(H,27,31)(H,28,32)/b12-11-
InChIKeyAPFWVQYRVIKDBN-QXMHVHEDSA-N
XLogP3.41
TPSA117.12 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide 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

2-(4-hydroxyphenyl)-N-[6-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]hexyl]acetamide
CID 167019595
tert-butyl N-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]carbamate
CID 122624166
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
N-(3-propoxypropyl)-2-(4-sulfanylphenyl)acetamide
CID 107033812
N-[3-(ethylamino)propyl]-2-(4-hydroxyphenyl)acetamide
CID 43601526
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-(3-butoxypropyl)-2-(2-hydroxyphenyl)acetamide
CID 115601163
3-hydroxy-N-[3-(4-hydroxyphenyl)propyl]-3-phenylbutanamide
CID 110025454
2-[(2-phenylacetyl)amino]ethyl 2,2-dimethylbutanoate
CID 159462856
2-amino-N-(3-butoxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 114350754
4-(3-ethoxypropylamino)-2,2-dimethyl-4-oxobutanoic acid
CID 65297863

Frequently Asked Questions

What is the IUPAC name of (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide?
The IUPAC name of (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide (CID 146530692) is (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide.
What is the SMILES notation for (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide?
The canonical SMILES for (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide is C=C(O)/C=C\C(C)(CC)CC(=O)NCCCOCCOCCCNC(=O)Cc1ccc(O)cc1.
What is the InChIKey of (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide?
The InChIKey is APFWVQYRVIKDBN-QXMHVHEDSA-N. The full InChI is InChI=1S/C26H40N2O6/c1-4-26(3,12-11-21(2)29)20-25(32)28-14-6-16-34-18-17-33-15-5-13-27-24(31)19-22-7-9-23(30)10-8-22/h7-12,29-30H,2,4-6,13-20H2,1,3H3,(H,27,31)(H,28,32)/b12-11-.
What are the key properties of (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide?
(4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide has a molecular weight of 476.61 g/mol, XLogP of 3.41, 18 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-3-ethyl-6-hydroxy-N-[3-[2-[3-[[2-(4-hydroxyphenyl)acetyl]amino]propoxy]ethoxy]propyl]-3-methylhepta-4,6-dienamide is sourced from PubChem (CID 146530692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).