N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide

C26H36N4O4 — CID 176667518

IUPACN-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide
SMILESCC(=O)NCC(CN1CCN(CCCNC(=O)Cc2ccc(O)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C26H36N4O4/c1-20(31)28-18-23(22-5-9-25(33)10-6-22)19-30-15-13-29(14-16-30)12-2-11-27-26(34)17-21-3-7-24(32)8-4-21/h3-10,23,32-33H,2,11-19H2,1H3,(H,27,34)(H,28,31)
InChIKeyLMZZQOHDRUVZGM-UHFFFAOYSA-N
MW468.60 g/mol
LogP1.68
Rot. Bonds11

About N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide

N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide (PubChem CID 176667518) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide
PubChem CID176667518
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC NameN-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide
SMILESCC(=O)NCC(CN1CCN(CCCNC(=O)Cc2ccc(O)cc2)CC1)c1ccc(O)cc1
InChIInChI=1S/C26H36N4O4/c1-20(31)28-18-23(22-5-9-25(33)10-6-22)19-30-15-13-29(14-16-30)12-2-11-27-26(34)17-21-3-7-24(32)8-4-21/h3-10,23,32-33H,2,11-19H2,1H3,(H,27,34)(H,28,31)
InChIKeyLMZZQOHDRUVZGM-UHFFFAOYSA-N
XLogP1.68
TPSA105.14 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 51.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
2-(4-acetamidophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide
CID 31413720
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methoxyphenyl)-N-(3-piperidin-1-ylpropyl)acetamide
CID 92674422
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-[3-[2-[[2-hydroxy-2-(4-hydroxyphenyl)ethyl]amino]-2-methylpropyl]phenyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 91335094
2-(4-hydroxyphenyl)-N-(2-phenylbutyl)acetamide
CID 78807076
tritert-butyl 10-[3-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 68612774
N-dodecyl-2-(4-hydroxyphenyl)acetamide
CID 19597088
2-(4-hydroxyphenyl)-N-octylacetamide
CID 13309827
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide?
The IUPAC name of N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide (CID 176667518) is N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide.
What is the SMILES notation for N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide?
The canonical SMILES for N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide is CC(=O)NCC(CN1CCN(CCCNC(=O)Cc2ccc(O)cc2)CC1)c1ccc(O)cc1.
What is the InChIKey of N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide?
The InChIKey is LMZZQOHDRUVZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-20(31)28-18-23(22-5-9-25(33)10-6-22)19-30-15-13-29(14-16-30)12-2-11-27-26(34)17-21-3-7-24(32)8-4-21/h3-10,23,32-33H,2,11-19H2,1H3,(H,27,34)(H,28,31).
What are the key properties of N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide?
N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide has a molecular weight of 468.60 g/mol, XLogP of 1.68, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[3-acetamido-2-(4-hydroxyphenyl)propyl]piperazin-1-yl]propyl]-2-(4-hydroxyphenyl)acetamide is sourced from PubChem (CID 176667518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).