2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide

C30H34N2O3 — CID 71036287

IUPAC2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C30H34N2O3/c33-25-10-6-23(7-11-25)28(24-8-12-26(34)13-9-24)29(35)31-18-3-19-32-20-16-30(17-21-32)15-14-22-4-1-2-5-27(22)30/h1-2,4-13,28,33-34H,3,14-21H2,(H,31,35)
InChIKeyVNGHXHUDSFRXLX-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.72
Rot. Bonds7

About 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide

2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide (PubChem CID 71036287) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
PubChem CID71036287
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC Name2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide
SMILESO=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C30H34N2O3/c33-25-10-6-23(7-11-25)28(24-8-12-26(34)13-9-24)29(35)31-18-3-19-32-20-16-30(17-21-32)15-14-22-4-1-2-5-27(22)30/h1-2,4-13,28,33-34H,3,14-21H2,(H,31,35)
InChIKeyVNGHXHUDSFRXLX-UHFFFAOYSA-N
XLogP4.72
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-diphenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)acetamide
CID 58685219
1,1-bis(4-methylphenyl)-3-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)urea
CID 44574358
N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)naphthalene-2-carboxamide
CID 53470069
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide
CID 53470097
N-[3-(4-benzylpiperidin-1-yl)propyl]-2,2-bis(4-chlorophenyl)acetamide
CID 122188500
N-methyl-1-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropanoyl)-2,3-dihydroindole-2-carboxamide
CID 10180240
2,2-bis(4-chlorophenyl)-N-[3-[4-(2-methylphenyl)piperidin-1-yl]propyl]acetamide
CID 141092531
trans-(1S,2S)-2-phenyl-N-(2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
CID 53470096
spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxylic acid
CID 66954084
2-chloro-N-[3-(4-methylpiperazin-1-yl)propyl]-2-phenylacetamide
CID 61251743
N-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propyl]-4-hydroxybenzamide
CID 70046612
[4-(1-hydroxy-2-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylethyl)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 154819244

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide?
The IUPAC name of 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide (CID 71036287) is 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide.
What is the SMILES notation for 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide?
The canonical SMILES for 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide is O=C(NCCCN1CCC2(CCc3ccccc32)CC1)C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide?
The InChIKey is VNGHXHUDSFRXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c33-25-10-6-23(7-11-25)28(24-8-12-26(34)13-9-24)29(35)31-18-3-19-32-20-16-30(17-21-32)15-14-22-4-1-2-5-27(22)30/h1-2,4-13,28,33-34H,3,14-21H2,(H,31,35).
What are the key properties of 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide?
2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide has a molecular weight of 470.61 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-hydroxyphenyl)-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)acetamide is sourced from PubChem (CID 71036287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).