4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

C25H29N5O — CID 13241083

IUPAC4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESC/C(=C\c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H29N5O/c1-16(19-10-11-20-21(15-19)25(4,5)13-12-24(20,2)3)14-17-6-8-18(9-7-17)22(31)26-23-27-29-30-28-23/h6-11,14-15H,12-13H2,1-5H3,(H2,26,27,28,29,30,31)/b16-14+
InChIKeyKZIMNVLACVSPII-JQIJEIRASA-N
MW415.54 g/mol
LogP5.36
Rot. Bonds4

About 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13241083) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13241083
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESC/C(=C\c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C
InChIInChI=1S/C25H29N5O/c1-16(19-10-11-20-21(15-19)25(4,5)13-12-24(20,2)3)14-17-6-8-18(9-7-17)22(31)26-23-27-29-30-28-23/h6-11,14-15H,12-13H2,1-5H3,(H2,26,27,28,29,30,31)/b16-14+
InChIKeyKZIMNVLACVSPII-JQIJEIRASA-N
XLogP5.36
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The IUPAC name of 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (CID 13241083) is 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide.
What is the SMILES notation for 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The canonical SMILES for 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is C/C(=C\c1ccc(C(=O)Nc2nn[nH]n2)cc1)c1ccc2c(c1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is KZIMNVLACVSPII-JQIJEIRASA-N. The full InChI is InChI=1S/C25H29N5O/c1-16(19-10-11-20-21(15-19)25(4,5)13-12-24(20,2)3)14-17-6-8-18(9-7-17)22(31)26-23-27-29-30-28-23/h6-11,14-15H,12-13H2,1-5H3,(H2,26,27,28,29,30,31)/b16-14+.
What are the key properties of 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 415.54 g/mol, XLogP of 5.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13241083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).