3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide

C20H23N3O — CID 109037353

IUPAC3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H23N3O/c1-20(2,3)17-6-4-5-7-18(17)22-13-12-19(24)23-16-10-8-15(14-21)9-11-16/h4-11,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyMTYKKZNOGZYTQF-UHFFFAOYSA-N
MW321.42 g/mol
LogP4.30
Rot. Bonds5

About 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide

3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide (PubChem CID 109037353) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide.

Molecular Properties

Compound Name3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
PubChem CID109037353
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide
SMILESCC(C)(C)c1ccccc1NCCC(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C20H23N3O/c1-20(2,3)17-6-4-5-7-18(17)22-13-12-19(24)23-16-10-8-15(14-21)9-11-16/h4-11,22H,12-13H2,1-3H3,(H,23,24)
InChIKeyMTYKKZNOGZYTQF-UHFFFAOYSA-N
XLogP4.30
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-3-(2-tert-butylanilino)propanamide
CID 109037311
3-(2-cyanoanilino)-N-(4-cyanophenyl)propanamide
CID 109042814
3-(2-tert-butylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109037316
N'-(2-tert-butylphenyl)-N-(4-cyanophenyl)oxamide
CID 108519483
N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035242
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
3-(4-cyanoanilino)-N-(2-cyanophenyl)propanamide
CID 109042807
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
3-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 109041719

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide?
The IUPAC name of 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide (CID 109037353) is 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide.
What is the SMILES notation for 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide?
The canonical SMILES for 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide is CC(C)(C)c1ccccc1NCCC(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide?
The InChIKey is MTYKKZNOGZYTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-20(2,3)17-6-4-5-7-18(17)22-13-12-19(24)23-16-10-8-15(14-21)9-11-16/h4-11,22H,12-13H2,1-3H3,(H,23,24).
What are the key properties of 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide?
3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide has a molecular weight of 321.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylanilino)-N-(4-cyanophenyl)propanamide is sourced from PubChem (CID 109037353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).