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

C20H21N3O3 — CID 108923905

IUPAC2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2cccc(NC(=O)CC#N)c2)c(C)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-7-18(15(2)10-14)26-13-20(25)22-12-16-4-3-5-17(11-16)23-19(24)8-9-21/h3-7,10-11H,8,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySTCWJYPZLMQDPO-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.85
Rot. Bonds7

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

2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide (PubChem CID 108923905) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
PubChem CID108923905
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2cccc(NC(=O)CC#N)c2)c(C)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-7-18(15(2)10-14)26-13-20(25)22-12-16-4-3-5-17(11-16)23-19(24)8-9-21/h3-7,10-11H,8,12-13H2,1-2H3,(H,22,25)(H,23,24)
InChIKeySTCWJYPZLMQDPO-UHFFFAOYSA-N
XLogP2.85
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[3-[[[2-(2-ethoxyphenoxy)acetyl]amino]methyl]phenyl]acetamide
CID 108923951
3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]-N-phenylbenzamide
CID 46475227
2-cyano-N-[3-[[[2-(4-methylphenyl)acetyl]amino]methyl]phenyl]acetamide
CID 108924129
N-(cyanomethyl)-2-(2,4-dimethylphenoxy)acetamide
CID 62399924
N-[(3-acetamidophenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 39575947
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethoxybenzamide
CID 108923849
N-[3-[[[2-(4-chloro-2-methylphenoxy)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 33014645
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-4-oxopentanamide
CID 108924089
N-[[3-[(2-cyanoacetyl)amino]phenyl]methyl]-3,4-dimethylbenzamide
CID 108924079
N-(3-bromophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876443
2-(2,4-dimethylphenoxy)-N-[[4-(phenylmethoxymethyl)phenyl]methyl]acetamide
CID 46456585
N-[[4-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]methyl]-2-cyanoacetamide
CID 108923158

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide (CID 108923905) is 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide is Cc1ccc(OCC(=O)NCc2cccc(NC(=O)CC#N)c2)c(C)c1.
What is the InChIKey of 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
The InChIKey is STCWJYPZLMQDPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-6-7-18(15(2)10-14)26-13-20(25)22-12-16-4-3-5-17(11-16)23-19(24)8-9-21/h3-7,10-11H,8,12-13H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide?
2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide has a molecular weight of 351.41 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[[[2-(2,4-dimethylphenoxy)acetyl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 108923905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).