2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide

C19H17N3O2 — CID 108924167

IUPAC2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c20-12-11-19(24)22-17-8-4-7-16(13-17)14-21-18(23)10-9-15-5-2-1-3-6-15/h1-10,13H,11,14H2,(H,21,23)(H,22,24)/b10-9+
InChIKeyQHCOOJFXIXALAJ-MDZDMXLPSA-N
MW319.36 g/mol
LogP2.87
Rot. Bonds6

About 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide

2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide (PubChem CID 108924167) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
PubChem CID108924167
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide
SMILESN#CCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C19H17N3O2/c20-12-11-19(24)22-17-8-4-7-16(13-17)14-21-18(23)10-9-15-5-2-1-3-6-15/h1-10,13H,11,14H2,(H,21,23)(H,22,24)/b10-9+
InChIKeyQHCOOJFXIXALAJ-MDZDMXLPSA-N
XLogP2.87
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-cyano-N-[3-[[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108924171
2-cyano-N-[4-[[[(E)-3-(3-methoxyphenyl)prop-2-enoyl]amino]methyl]phenyl]acetamide
CID 108923387
N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926500
2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924113
2-cyano-N-[3-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]acetamide
CID 108922820
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
(E)-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-4,4-dimethylpent-2-enamide
CID 108924210
2-cyano-N'-(3-phenylprop-2-enoyl)acetohydrazide
CID 582984
(E)-N-[2-(3-methylanilino)-2-oxoethyl]-3-phenylprop-2-enamide
CID 9341605
3-fluoro-N-[3-[[3-(3-fluorophenyl)prop-2-enoylamino]methyl]phenyl]benzamide
CID 55894437

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide (CID 108924167) is 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide is N#CCC(=O)Nc1cccc(CNC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide?
The InChIKey is QHCOOJFXIXALAJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-12-11-19(24)22-17-8-4-7-16(13-17)14-21-18(23)10-9-15-5-2-1-3-6-15/h1-10,13H,11,14H2,(H,21,23)(H,22,24)/b10-9+.
What are the key properties of 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide has a molecular weight of 319.36 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[[(E)-3-phenylprop-2-enoyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108924167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).