N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide

C21H25NO2 — CID 10519970

IUPACN-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide
SMILESC=CC(CCC(=O)NCc1ccccc1)Cc1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-3-17(15-18-9-12-20(24-2)13-10-18)11-14-21(23)22-16-19-7-5-4-6-8-19/h3-10,12-13,17H,1,11,14-16H2,2H3,(H,22,23)
InChIKeyFLPAMFYDMSPVPT-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.14
Rot. Bonds9

About N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide

N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide (PubChem CID 10519970) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide
PubChem CID10519970
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide
SMILESC=CC(CCC(=O)NCc1ccccc1)Cc1ccc(OC)cc1
InChIInChI=1S/C21H25NO2/c1-3-17(15-18-9-12-20(24-2)13-10-18)11-14-21(23)22-16-19-7-5-4-6-8-19/h3-10,12-13,17H,1,11,14-16H2,2H3,(H,22,23)
InChIKeyFLPAMFYDMSPVPT-UHFFFAOYSA-N
XLogP4.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
(4S,5R)-5-hydroxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxyhexanamide
CID 135020165
N-[(4-methoxyphenyl)methyl]-4-phenoxybutanamide
CID 2569863
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[(4-methoxyphenyl)methyl]-3-phenoxypropanamide
CID 26365331
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41325047
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
3-(2-chlorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 2712554

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide?
The IUPAC name of N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide (CID 10519970) is N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide.
What is the SMILES notation for N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide?
The canonical SMILES for N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide is C=CC(CCC(=O)NCc1ccccc1)Cc1ccc(OC)cc1.
What is the InChIKey of N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide?
The InChIKey is FLPAMFYDMSPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c1-3-17(15-18-9-12-20(24-2)13-10-18)11-14-21(23)22-16-19-7-5-4-6-8-19/h3-10,12-13,17H,1,11,14-16H2,2H3,(H,22,23).
What are the key properties of N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide?
N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide has a molecular weight of 323.44 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-methoxyphenyl)methyl]hex-5-enamide is sourced from PubChem (CID 10519970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).