3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide

C24H31N3O2 — CID 113124259

IUPAC3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(C)cc1C
InChIInChI=1S/C24H31N3O2/c1-18-7-12-23(19(2)17-18)27(20(3)28)16-13-24(29)25-21-8-10-22(11-9-21)26-14-5-4-6-15-26/h7-12,17H,4-6,13-16H2,1-3H3,(H,25,29)
InChIKeyWBRCRAPFWGRORB-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.68
Rot. Bonds6

About 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide

3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide (PubChem CID 113124259) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
PubChem CID113124259
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(C)cc1C
InChIInChI=1S/C24H31N3O2/c1-18-7-12-23(19(2)17-18)27(20(3)28)16-13-24(29)25-21-8-10-22(11-9-21)26-14-5-4-6-15-26/h7-12,17H,4-6,13-16H2,1-3H3,(H,25,29)
InChIKeyWBRCRAPFWGRORB-UHFFFAOYSA-N
XLogP4.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(N-acetyl-2,4-dimethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113168004
3-(N-acetyl-2,4-dimethylanilino)-N-(4-bromophenyl)propanamide
CID 113124234
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
3-(N-acetyl-2,4-dimethylanilino)-N-(4-cyanophenyl)propanamide
CID 113124281
3-(N-acetyl-2,4-dimethylanilino)-N-(4-ethoxyphenyl)propanamide
CID 113124239
3-(N-acetyl-4-bromo-2-methylanilino)-N-(4-methylphenyl)propanamide
CID 113132763
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
3-(N-acetyl-2,4-dimethylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 113124205
3-(N-acetyl-2,4-dimethylanilino)-N-(3-acetylphenyl)propanamide
CID 113124249
N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 52689165
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-(N-acetyl-2,4-dimethylanilino)-N-(3-chlorophenyl)propanamide
CID 113124224

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide (CID 113124259) is 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(N2CCCCC2)cc1)c1ccc(C)cc1C.
What is the InChIKey of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
The InChIKey is WBRCRAPFWGRORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-18-7-12-23(19(2)17-18)27(20(3)28)16-13-24(29)25-21-8-10-22(11-9-21)26-14-5-4-6-15-26/h7-12,17H,4-6,13-16H2,1-3H3,(H,25,29).
What are the key properties of 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide?
3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide has a molecular weight of 393.53 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide is sourced from PubChem (CID 113124259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).