2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide

C24H22N4O3 — CID 55848331

IUPAC2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C24H22N4O3/c1-17-7-10-20(27-24(30)26-19-5-3-2-4-6-19)15-22(17)28-23(29)16-31-21-11-8-18(9-12-21)13-14-25/h2-12,15H,13,16H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyRIJYBHGBQIXSPT-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.72
Rot. Bonds7

About 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide

2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide (PubChem CID 55848331) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
PubChem CID55848331
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide
SMILESCc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)COc1ccc(CC#N)cc1
InChIInChI=1S/C24H22N4O3/c1-17-7-10-20(27-24(30)26-19-5-3-2-4-6-19)15-22(17)28-23(29)16-31-21-11-8-18(9-12-21)13-14-25/h2-12,15H,13,16H2,1H3,(H,28,29)(H2,26,27,30)
InChIKeyRIJYBHGBQIXSPT-UHFFFAOYSA-N
XLogP4.72
TPSA103.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-amino-2-methylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16794287
N-[4-(cyanomethyl)phenyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 9259898
2-[4-(cyanomethyl)phenoxy]-N-(4-cyanophenyl)acetamide
CID 43824284
2-amino-N-[3-[[2-(4-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192498
N-(2-benzylphenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 55312855
2-[4-(cyanomethyl)phenoxy]-N-(2-ethylsulfonylphenyl)acetamide
CID 47078845
N-[4-methyl-3-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 46487328
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]-4-methylphenyl]propanamide
CID 46487344
N-[4-(cyanomethyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 674702
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100801141
N-(3-amino-4-fluorophenyl)-2-[4-(cyanomethyl)phenoxy]acetamide
CID 16784468
N-(3-acetamido-4-methylphenyl)-2-naphthalen-2-yloxyacetamide
CID 54777087

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
The IUPAC name of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide (CID 55848331) is 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
The canonical SMILES for 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide is Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)COc1ccc(CC#N)cc1.
What is the InChIKey of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
The InChIKey is RIJYBHGBQIXSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-17-7-10-20(27-24(30)26-19-5-3-2-4-6-19)15-22(17)28-23(29)16-31-21-11-8-18(9-12-21)13-14-25/h2-12,15H,13,16H2,1H3,(H,28,29)(H2,26,27,30).
What are the key properties of 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide?
2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide has a molecular weight of 414.47 g/mol, XLogP of 4.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyanomethyl)phenoxy]-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]acetamide is sourced from PubChem (CID 55848331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).