N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide

C21H25NO — CID 25101193

IUPACN-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc(/C=C\c2c(C)cccc2C)c1
InChIInChI=1S/C21H25NO/c1-16-7-4-8-17(2)21(16)13-12-20-10-5-9-19(15-20)11-6-14-22-18(3)23/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,22,23)/b13-12-
InChIKeyWZKAUHRRNNOOMJ-SEYXRHQNSA-N
MW307.44 g/mol
LogP4.54
Rot. Bonds6

About N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide

N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide (PubChem CID 25101193) has the molecular formula C21H25NO and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide
PubChem CID25101193
Molecular FormulaC21H25NO
Molecular Weight307.44 g/mol
Exact Mass307.19
IUPAC NameN-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide
SMILESCC(=O)NCCCc1cccc(/C=C\c2c(C)cccc2C)c1
InChIInChI=1S/C21H25NO/c1-16-7-4-8-17(2)21(16)13-12-20-10-5-9-19(15-20)11-6-14-22-18(3)23/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,22,23)/b13-12-
InChIKeyWZKAUHRRNNOOMJ-SEYXRHQNSA-N
XLogP4.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[3-[2-(2,6-dimethylphenyl)ethenyl]phenyl]butanoate
CID 91383142
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
2,2,2-trifluoro-N-[3-[3-(3-hydroxyhex-1-enyl)phenyl]propyl]acetamide
CID 91068402
[3-(2-acetamidoethyl)phenyl]carbamic acid
CID 69174088
N-[4-[3-(bromomethyl)phenyl]but-3-enyl]acetamide
CID 170489715
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[3-[3-(1,3-thiazol-2-yl)phenyl]propyl]acetamide
CID 142902094
N-[4-(3-methylphenyl)but-3-enyl]acetamide
CID 170488073
N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
1-[(E)-2-(3-methoxyphenyl)ethenyl]-3-(3-phenylpropyl)urea
CID 108906032
3-(3-fluorophenyl)-N-(3-phenylpropyl)prop-2-enamide
CID 4810838

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide?
The IUPAC name of N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide (CID 25101193) is N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide is CC(=O)NCCCc1cccc(/C=C\c2c(C)cccc2C)c1.
What is the InChIKey of N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide?
The InChIKey is WZKAUHRRNNOOMJ-SEYXRHQNSA-N. The full InChI is InChI=1S/C21H25NO/c1-16-7-4-8-17(2)21(16)13-12-20-10-5-9-19(15-20)11-6-14-22-18(3)23/h4-5,7-10,12-13,15H,6,11,14H2,1-3H3,(H,22,23)/b13-12-.
What are the key properties of N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide?
N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide has a molecular weight of 307.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[(Z)-2-(2,6-dimethylphenyl)ethenyl]phenyl]propyl]acetamide is sourced from PubChem (CID 25101193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).