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

C21H23NO — CID 1367038

IUPAC2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(CC=C)(NC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C21H23NO/c1-4-15-21(16-5-2,18-12-7-6-8-13-18)22-20(23)19-14-10-9-11-17(19)3/h4-14H,1-2,15-16H2,3H3,(H,22,23)
InChIKeyBNLKCRBPXINFCH-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.77
Rot. Bonds7

About 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide

2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide (PubChem CID 1367038) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide
PubChem CID1367038
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide
SMILESC=CCC(CC=C)(NC(=O)c1ccccc1C)c1ccccc1
InChIInChI=1S/C21H23NO/c1-4-15-21(16-5-2,18-12-7-6-8-13-18)22-20(23)19-14-10-9-11-17(19)3/h4-14H,1-2,15-16H2,3H3,(H,22,23)
InChIKeyBNLKCRBPXINFCH-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 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The IUPAC name of 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide (CID 1367038) is 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The canonical SMILES for 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide is C=CCC(CC=C)(NC(=O)c1ccccc1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
The InChIKey is BNLKCRBPXINFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO/c1-4-15-21(16-5-2,18-12-7-6-8-13-18)22-20(23)19-14-10-9-11-17(19)3/h4-14H,1-2,15-16H2,3H3,(H,22,23).
What are the key properties of 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide?
2-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 2-methyl-N-(4-phenylhepta-1,6-dien-4-yl)benzamide is sourced from PubChem (CID 1367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).