3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide

C21H23NO — CID 1237860

IUPAC3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(CC=C)(NC(=O)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C21H23NO/c1-4-14-21(15-5-2,19-12-7-6-8-13-19)22-20(23)18-11-9-10-17(3)16-18/h4-13,16H,1-2,14-15H2,3H3,(H,22,23)
InChIKeySRBRTINPZCUJON-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.77
Rot. Bonds7

About 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide

3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide (PubChem CID 1237860) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide.

Molecular Properties

Compound Name3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide
PubChem CID1237860
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(CC=C)(NC(=O)c1cccc(C)c1)c1ccccc1
InChIInChI=1S/C21H23NO/c1-4-14-21(15-5-2,19-12-7-6-8-13-19)22-20(23)18-11-9-10-17(3)16-18/h4-13,16H,1-2,14-15H2,3H3,(H,22,23)
InChIKeySRBRTINPZCUJON-UHFFFAOYSA-N
XLogP4.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The IUPAC name of 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide (CID 1237860) is 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide.
What is the SMILES notation for 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The canonical SMILES for 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide is C=CCC(CC=C)(NC(=O)c1cccc(C)c1)c1ccccc1.
What is the InChIKey of 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The InChIKey is SRBRTINPZCUJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-4-14-21(15-5-2,19-12-7-6-8-13-19)22-20(23)18-11-9-10-17(3)16-18/h4-13,16H,1-2,14-15H2,3H3,(H,22,23).
What are the key properties of 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide has a molecular weight of 305.42 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide is sourced from PubChem (CID 1237860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).