2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide

C19H19N3O2 — CID 108924129

IUPAC2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)NCc2cccc(NC(=O)CC#N)c2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-5-7-15(8-6-14)12-19(24)21-13-16-3-2-4-17(11-16)22-18(23)9-10-20/h2-8,11H,9,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyTXXWMSBQQKRICF-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.71
Rot. Bonds6

About 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide

2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108924129) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108924129
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
SMILESCc1ccc(CC(=O)NCc2cccc(NC(=O)CC#N)c2)cc1
InChIInChI=1S/C19H19N3O2/c1-14-5-7-15(8-6-14)12-19(24)21-13-16-3-2-4-17(11-16)22-18(23)9-10-20/h2-8,11H,9,12-13H2,1H3,(H,21,24)(H,22,23)
InChIKeyTXXWMSBQQKRICF-UHFFFAOYSA-N
XLogP2.71
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-[3-[[[2-(2-fluorophenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924113
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923905
2-cyano-N-[3-[[2-(3-methylphenyl)acetyl]amino]phenyl]acetamide
CID 108922788
4-chloro-N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]benzamide
CID 108923881
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
tert-butyl N-[2-[[3-[(2-cyanoacetyl)amino]phenyl]methylamino]-2-oxoethyl]carbamate
CID 108918277
N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]-2-ethylbutanamide
CID 108924026
2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20984569
2-chloro-N-[3-[[(2-cyanoacetyl)amino]methyl]phenyl]benzamide
CID 108923898

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide (CID 108924129) is 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide is Cc1ccc(CC(=O)NCc2cccc(NC(=O)CC#N)c2)cc1.
What is the InChIKey of 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is TXXWMSBQQKRICF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-5-7-15(8-6-14)12-19(24)21-13-16-3-2-4-17(11-16)22-18(23)9-10-20/h2-8,11H,9,12-13H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.71, 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-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108924129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).