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

C15H18N2O3 — CID 102159051

IUPACN-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(C/C=C/C#N)Cc1cccc(OC)c1
InChIInChI=1S/C15H18N2O3/c1-19-12-15(18)17(9-4-3-8-16)11-13-6-5-7-14(10-13)20-2/h3-7,10H,9,11-12H2,1-2H3/b4-3+
InChIKeyFNSYVRDXYOWIJK-ONEGZZNKSA-N
MW274.32 g/mol
LogP1.75
Rot. Bonds7

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

N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 102159051) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID102159051
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(C/C=C/C#N)Cc1cccc(OC)c1
InChIInChI=1S/C15H18N2O3/c1-19-12-15(18)17(9-4-3-8-16)11-13-6-5-7-14(10-13)20-2/h3-7,10H,9,11-12H2,1-2H3/b4-3+
InChIKeyFNSYVRDXYOWIJK-ONEGZZNKSA-N
XLogP1.75
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-N-[(3-methoxyphenyl)methyl]acetamide
CID 102159050
N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 102159049
2-[4-(4-cyanophenyl)phenoxy]-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78759927
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333
4-cyano-N-[(3-methoxyphenyl)methyl]-N-(1-methoxypropan-2-yl)benzamide
CID 173165788
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
N-[[3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide
CID 42815952
2-(4-butoxyphenoxy)-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 21119889

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide (CID 102159051) is N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide is COCC(=O)N(C/C=C/C#N)Cc1cccc(OC)c1.
What is the InChIKey of N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is FNSYVRDXYOWIJK-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-15(18)17(9-4-3-8-16)11-13-6-5-7-14(10-13)20-2/h3-7,10H,9,11-12H2,1-2H3/b4-3+.
What are the key properties of N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide?
N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-cyanoprop-2-enyl]-2-methoxy-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 102159051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).