N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide

C15H18N2O3 — CID 102159049

IUPACN-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(C/C=C\C#N)Cc1ccc(OC)cc1
InChIInChI=1S/C15H18N2O3/c1-19-12-15(18)17(10-4-3-9-16)11-13-5-7-14(20-2)8-6-13/h3-8H,10-12H2,1-2H3/b4-3-
InChIKeyFNEKRIXKQDORGH-ARJAWSKDSA-N
MW274.32 g/mol
LogP1.75
Rot. Bonds7

About N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide

N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 102159049) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID102159049
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOCC(=O)N(C/C=C\C#N)Cc1ccc(OC)cc1
InChIInChI=1S/C15H18N2O3/c1-19-12-15(18)17(10-4-3-9-16)11-13-5-7-14(20-2)8-6-13/h3-8H,10-12H2,1-2H3/b4-3-
InChIKeyFNEKRIXKQDORGH-ARJAWSKDSA-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
3-[(2-methoxyacetyl)-[(4-methoxyphenyl)methyl]amino]-2-methylpropanoic acid
CID 82325734
2-[[(E)-3-cyanoprop-2-enyl]-[(4-methoxyphenyl)methyl]amino]propylcarbamic acid
CID 146625270
2-bromo-N,N-bis[(4-methoxyphenyl)methyl]acetamide
CID 10904936
4-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide
CID 119299364
4-cyano-N-[(4-methoxyphenyl)methyl]-N-methylbenzamide
CID 23508555
3-amino-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbutanamide;hydrochloride
CID 119741696
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
N-[(2-chloro-6-methoxyquinolin-3-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-methoxyacetamide
CID 3216958
methyl 2-[bis[(4-methoxyphenyl)methyl]amino]prop-2-enoate
CID 101441426
N-[2-[bis[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propylpropanamide;propane
CID 168975874
methyl (2S)-2-amino-5-[(4-methoxyphenyl)methyl-prop-2-enylamino]-5-oxopentanoate
CID 69494857

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide (CID 102159049) is N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide is COCC(=O)N(C/C=C\C#N)Cc1ccc(OC)cc1.
What is the InChIKey of N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is FNEKRIXKQDORGH-ARJAWSKDSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-12-15(18)17(10-4-3-9-16)11-13-5-7-14(20-2)8-6-13/h3-8H,10-12H2,1-2H3/b4-3-.
What are the key properties of N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide?
N-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-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-[(Z)-3-cyanoprop-2-enyl]-2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 102159049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).