N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane

C16H27NO2 — CID 178010444

IUPACN-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
SMILESC/C=C/CNC(=O)c1ccc(OC)cc1.CC.CC
InChIInChI=1S/C12H15NO2.2C2H6/c1-3-4-9-13-12(14)10-5-7-11(15-2)8-6-10;2*1-2/h3-8H,9H2,1-2H3,(H,13,14);2*1-2H3/b4-3+;;
InChIKeyRYSXXNRPDOGPMH-CZEFNJPISA-N
MW265.40 g/mol
LogP4.05
Rot. Bonds4

About N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane

N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane (PubChem CID 178010444) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
PubChem CID178010444
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-[(E)-but-2-enyl]-4-methoxybenzamide;ethane
SMILESC/C=C/CNC(=O)c1ccc(OC)cc1.CC.CC
InChIInChI=1S/C12H15NO2.2C2H6/c1-3-4-9-13-12(14)10-5-7-11(15-2)8-6-10;2*1-2/h3-8H,9H2,1-2H3,(H,13,14);2*1-2H3/b4-3+;;
InChIKeyRYSXXNRPDOGPMH-CZEFNJPISA-N
XLogP4.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.05
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

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4-methoxy-N-[(E)-3-methylsulfonylprop-2-enyl]benzamide
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N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
CID 167917675
N-[(E)-but-2-enyl]-6-methylpyridine-3-carboxamide;ethane
CID 178011431
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
2-[(4-methoxybenzoyl)amino]acetate
CID 6920131
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
CID 46989444
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N-[2-(4-chlorobutanoylamino)ethyl]-4-methoxybenzamide
CID 108570637
1-N',4-N'-bis(4-methoxybenzoyl)butanedihydrazide
CID 3140699

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane (CID 178010444) is N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane is C/C=C/CNC(=O)c1ccc(OC)cc1.CC.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane?
The InChIKey is RYSXXNRPDOGPMH-CZEFNJPISA-N. The full InChI is InChI=1S/C12H15NO2.2C2H6/c1-3-4-9-13-12(14)10-5-7-11(15-2)8-6-10;2*1-2/h3-8H,9H2,1-2H3,(H,13,14);2*1-2H3/b4-3+;;.
What are the key properties of N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane?
N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane has a molecular weight of 265.40 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-4-methoxybenzamide;ethane is sourced from PubChem (CID 178010444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).