2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide

C20H21N3O3 — CID 113180955

IUPAC2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1OC(C)C)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O3/c1-14(2)26-19-10-5-4-9-18(19)22-20(25)13-23(15(3)24)17-8-6-7-16(11-17)12-21/h4-11,14H,13H2,1-3H3,(H,22,25)
InChIKeyDODXUMAKQRYXIT-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.34
Rot. Bonds6

About 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide

2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 113180955) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
PubChem CID113180955
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1OC(C)C)c1cccc(C#N)c1
InChIInChI=1S/C20H21N3O3/c1-14(2)26-19-10-5-4-9-18(19)22-20(25)13-23(15(3)24)17-8-6-7-16(11-17)12-21/h4-11,14H,13H2,1-3H3,(H,22,25)
InChIKeyDODXUMAKQRYXIT-UHFFFAOYSA-N
XLogP3.34
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167588
2-(N-acetyl-3-chloroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113171415
2-(N-acetyl-3,4-difluoroanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113181683
2-(N-acetyl-3-cyanoanilino)-N-(2,4-dimethoxyphenyl)acetamide
CID 113180958
2-(N-acetyl-3-cyanoanilino)-N-(2,3,4-trifluorophenyl)acetamide
CID 113181013
2-(N-acetyl-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 113167392
2-(N-acetyl-3-cyanoanilino)-N-(2,6-diethylphenyl)acetamide
CID 113180930
3-cyano-N-(2-propan-2-yloxyphenyl)benzamide
CID 38999846
2-(N-acetyl-3-cyanoanilino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 113180931
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
2-(N-acetyl-3-cyanoanilino)-N-(4-tert-butylphenyl)acetamide
CID 113180933
2-(N-acetyl-3-cyanoanilino)-N-(3,4-dimethylphenyl)acetamide
CID 113180919

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide (CID 113180955) is 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide is CC(=O)N(CC(=O)Nc1ccccc1OC(C)C)c1cccc(C#N)c1.
What is the InChIKey of 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is DODXUMAKQRYXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14(2)26-19-10-5-4-9-18(19)22-20(25)13-23(15(3)24)17-8-6-7-16(11-17)12-21/h4-11,14H,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide?
2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 351.41 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-cyanoanilino)-N-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 113180955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).