N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide

C38H49NO2 — CID 152614631

IUPACN-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide
SMILESCCCCCCCCc1cc2c(cc1C(C)=Cc1ccc(C(=O)Nc3ccc(O)cc3)cc1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C38H49NO2/c1-8-9-10-11-12-13-14-30-24-34-35(38(6,7)27(3)37(34,4)5)25-33(30)26(2)23-28-15-17-29(18-16-28)36(41)39-31-19-21-32(40)22-20-31/h15-25,27,40H,8-14H2,1-7H3,(H,39,41)
InChIKeyZAGBBAFIRZNONR-UHFFFAOYSA-N
MW551.82 g/mol
LogP10.31
Rot. Bonds11

About N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide

N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide (PubChem CID 152614631) has the molecular formula C38H49NO2 and a molecular weight of 551.82 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide
PubChem CID152614631
Molecular FormulaC38H49NO2
Molecular Weight551.82 g/mol
Exact Mass551.38
IUPAC NameN-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide
SMILESCCCCCCCCc1cc2c(cc1C(C)=Cc1ccc(C(=O)Nc3ccc(O)cc3)cc1)C(C)(C)C(C)C2(C)C
InChIInChI=1S/C38H49NO2/c1-8-9-10-11-12-13-14-30-24-34-35(38(6,7)27(3)37(34,4)5)25-33(30)26(2)23-28-15-17-29(18-16-28)36(41)39-31-19-21-32(40)22-20-31/h15-25,27,40H,8-14H2,1-7H3,(H,39,41)
InChIKeyZAGBBAFIRZNONR-UHFFFAOYSA-N
XLogP10.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.82
LogP ≤ 510.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-aminophenol;4-[(E)-2-(6-butyl-1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
CID 70455150
ethyl 4-[2-(6-butyl-1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]benzoate
CID 54079197
4-aminophenol;4-[(E)-2-(1,1,2,3,3-pentamethyl-6-propyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
CID 70455812
4-aminophenol;4-[2-(6-ethyl-1,1,2,3,3-pentamethyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
CID 70455411
4-aminophenol;4-[2-(1,1,3,3-tetramethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzoic acid
CID 70456216
4-[2-[6-(3-ethylpentyl)-1,1,2,3,3-pentamethyl-2H-inden-5-yl]prop-1-enyl]benzoic acid
CID 54139601
(4-aminophenyl) 4-[2-(6-butyl-1,1,3,3-tetramethyl-2H-inden-5-yl)prop-1-enyl]benzoate
CID 70455322
N-(4-hydroxyphenyl)-4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide
CID 18989925
N-(4-ethylphenyl)-4-pentylbenzamide
CID 142206594
N-decyl-4-hydroxybenzamide
CID 15277871
2-[(3-hydroxy-4-octylbenzoyl)amino]-5-methylbenzoic acid
CID 170344591
butyl 4-[2-[1,1,3,3-tetramethyl-6-(2-methylpropyl)-2H-inden-5-yl]prop-1-enyl]benzoate
CID 54355486

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide?
The IUPAC name of N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide (CID 152614631) is N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide?
The canonical SMILES for N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide is CCCCCCCCc1cc2c(cc1C(C)=Cc1ccc(C(=O)Nc3ccc(O)cc3)cc1)C(C)(C)C(C)C2(C)C.
What is the InChIKey of N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide?
The InChIKey is ZAGBBAFIRZNONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H49NO2/c1-8-9-10-11-12-13-14-30-24-34-35(38(6,7)27(3)37(34,4)5)25-33(30)26(2)23-28-15-17-29(18-16-28)36(41)39-31-19-21-32(40)22-20-31/h15-25,27,40H,8-14H2,1-7H3,(H,39,41).
What are the key properties of N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide?
N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide has a molecular weight of 551.82 g/mol, XLogP of 10.31, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-4-[2-(1,1,2,3,3-pentamethyl-6-octyl-2H-inden-5-yl)prop-1-enyl]benzamide is sourced from PubChem (CID 152614631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).