N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

C19H19N3O3 — CID 108955872

IUPACN-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O3/c1-13(2)25-17-6-4-3-5-16(17)22-19(24)11-18(23)21-15-9-7-14(12-20)8-10-15/h3-10,13H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMYXPIJIFTRIMDJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.31
Rot. Bonds6

About N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide

N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (PubChem CID 108955872) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
PubChem CID108955872
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H19N3O3/c1-13(2)25-17-6-4-3-5-16(17)22-19(24)11-18(23)21-15-9-7-14(12-20)8-10-15/h3-10,13H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyMYXPIJIFTRIMDJ-UHFFFAOYSA-N
XLogP3.31
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluorophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108954811
1-N-(4-cyanophenyl)-3-N-(2-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057684
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(3-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955569
N-(4-cyanophenyl)-N'-propan-2-ylpropanediamide
CID 108940955
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
N-(4-cyanophenyl)-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109359157
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The IUPAC name of N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide (CID 108955872) is N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide.
What is the SMILES notation for N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The canonical SMILES for N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is CC(C)Oc1ccccc1NC(=O)CC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
The InChIKey is MYXPIJIFTRIMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13(2)25-17-6-4-3-5-16(17)22-19(24)11-18(23)21-15-9-7-14(12-20)8-10-15/h3-10,13H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide?
N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide has a molecular weight of 337.38 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide is sourced from PubChem (CID 108955872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).