3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide

C24H29N3O2 — CID 113133155

IUPAC3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H29N3O2/c1-16(2)20-10-8-11-21(17(3)4)24(20)27(18(5)28)14-13-23(29)26-22-12-7-6-9-19(22)15-25/h6-12,16-17H,13-14H2,1-5H3,(H,26,29)
InChIKeyDIJLQKXCJXDRHE-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.19
Rot. Bonds7

About 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide

3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide (PubChem CID 113133155) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
PubChem CID113133155
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccccc1C#N)c1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C24H29N3O2/c1-16(2)20-10-8-11-21(17(3)4)24(20)27(18(5)28)14-13-23(29)26-22-12-7-6-9-19(22)15-25/h6-12,16-17H,13-14H2,1-5H3,(H,26,29)
InChIKeyDIJLQKXCJXDRHE-UHFFFAOYSA-N
XLogP5.19
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,6-diethylanilino)-N-(2-cyanophenyl)propanamide
CID 113126234
3-(N-acetyl-2,6-difluoroanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113135416
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
3-(N-acetyl-2,4,6-trimethylanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 113126059
3-[acetyl(1-phenylethyl)amino]-N-(2-cyanophenyl)propanamide
CID 113119056
2-(N-acetyl-2,6-difluoroanilino)-N-(2-cyanophenyl)acetamide
CID 113181547
3-(N-acetyl-2,5-dichloroanilino)-N-(2-cyanophenyl)propanamide
CID 113134040
N-(2-cyanophenyl)-3-[methyl(2-methylbutyl)amino]propanamide
CID 43295810
3-[acetyl-[(2-methylphenyl)methyl]amino]-N-(2-cyanophenyl)propanamide
CID 113118534
3-(N-acetyl-2-methoxy-5-methylanilino)-N-(2-cyanophenyl)propanamide
CID 113129674
3-[acetyl(cycloheptyl)amino]-N-(2-cyanophenyl)propanamide
CID 113122793
3-(N-acetyl-2,6-dimethylanilino)-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113124910

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide?
The IUPAC name of 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide (CID 113133155) is 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide.
What is the SMILES notation for 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide?
The canonical SMILES for 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccccc1C#N)c1c(C(C)C)cccc1C(C)C.
What is the InChIKey of 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide?
The InChIKey is DIJLQKXCJXDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-16(2)20-10-8-11-21(17(3)4)24(20)27(18(5)28)14-13-23(29)26-22-12-7-6-9-19(22)15-25/h6-12,16-17H,13-14H2,1-5H3,(H,26,29).
What are the key properties of 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide?
3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide has a molecular weight of 391.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-2,6-di(propan-2-yl)anilino]-N-(2-cyanophenyl)propanamide is sourced from PubChem (CID 113133155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).