4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

C27H33N5O — CID 13241086

IUPAC4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCCc1cc2c(cc1/C(C)=C/c1ccc(C(=O)Nc3nn[nH]n3)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C27H33N5O/c1-7-19-15-22-23(27(5,6)13-12-26(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(33)28-25-29-31-32-30-25/h8-11,14-16H,7,12-13H2,1-6H3,(H2,28,29,30,31,32,33)/b17-14+
InChIKeyPQOKAKBWCHHRAU-SAPNQHFASA-N
MW443.60 g/mol
LogP5.92
Rot. Bonds5

About 4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide

4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (PubChem CID 13241086) has the molecular formula C27H33N5O and a molecular weight of 443.60 g/mol. Its IUPAC name is 4-[(E)-2-(3-ethyl-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-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
PubChem CID13241086
Molecular FormulaC27H33N5O
Molecular Weight443.60 g/mol
Exact Mass443.27
IUPAC Name4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide
SMILESCCc1cc2c(cc1/C(C)=C/c1ccc(C(=O)Nc3nn[nH]n3)cc1)C(C)(C)CCC2(C)C
InChIInChI=1S/C27H33N5O/c1-7-19-15-22-23(27(5,6)13-12-26(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(33)28-25-29-31-32-30-25/h8-11,14-16H,7,12-13H2,1-6H3,(H2,28,29,30,31,32,33)/b17-14+
InChIKeyPQOKAKBWCHHRAU-SAPNQHFASA-N
XLogP5.92
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.60
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(3-ethyl-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-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide (CID 13241086) is 4-[(E)-2-(3-ethyl-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-(3-ethyl-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-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is CCc1cc2c(cc1/C(C)=C/c1ccc(C(=O)Nc3nn[nH]n3)cc1)C(C)(C)CCC2(C)C.
What is the InChIKey of 4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
The InChIKey is PQOKAKBWCHHRAU-SAPNQHFASA-N. The full InChI is InChI=1S/C27H33N5O/c1-7-19-15-22-23(27(5,6)13-12-26(22,3)4)16-21(19)17(2)14-18-8-10-20(11-9-18)24(33)28-25-29-31-32-30-25/h8-11,14-16H,7,12-13H2,1-6H3,(H2,28,29,30,31,32,33)/b17-14+.
What are the key properties of 4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide?
4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide has a molecular weight of 443.60 g/mol, XLogP of 5.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(3-ethyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)prop-1-enyl]-N-(2H-tetrazol-5-yl)benzamide is sourced from PubChem (CID 13241086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).