N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide

C14H16N2O2 — CID 102159050

IUPACN-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CN(C/C=C/C#N)C(C)=O)c1
InChIInChI=1S/C14H16N2O2/c1-12(17)16(9-4-3-8-15)11-13-6-5-7-14(10-13)18-2/h3-7,10H,9,11H2,1-2H3/b4-3+
InChIKeyJKUAVXMWUXFOID-ONEGZZNKSA-N
MW244.29 g/mol
LogP2.12
Rot. Bonds5

About N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide

N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 102159050) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID102159050
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CN(C/C=C/C#N)C(C)=O)c1
InChIInChI=1S/C14H16N2O2/c1-12(17)16(9-4-3-8-15)11-13-6-5-7-14(10-13)18-2/h3-7,10H,9,11H2,1-2H3/b4-3+
InChIKeyJKUAVXMWUXFOID-ONEGZZNKSA-N
XLogP2.12
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 102159051
4-[(3-methoxyphenyl)methyl-methylamino]butan-2-one
CID 60648128
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
CID 173165788
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333
1-hydroxy-1-[(3-methoxyphenyl)methyl]-3-methylurea
CID 134104762
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
4-[(3-methoxyphenyl)methyl-methylamino]butanenitrile
CID 60690539
2-[acetyl(benzyl)amino]-N-(3-methoxyphenyl)acetamide
CID 113161287
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 102159050) is N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CN(C/C=C/C#N)C(C)=O)c1.
What is the InChIKey of N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is JKUAVXMWUXFOID-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-12(17)16(9-4-3-8-15)11-13-6-5-7-14(10-13)18-2/h3-7,10H,9,11H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide?
N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 244.29 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyanoprop-2-enyl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 102159050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).