2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide

C17H26N2O — CID 78775437

IUPAC2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-4-7-13(2)17(20)18-16-9-8-15(12-14(16)3)19-10-5-6-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyGEVRNKFPDLXLDA-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.97
Rot. Bonds5

About 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide

2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 78775437) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID78775437
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(C)C(=O)Nc1ccc(N2CCCC2)cc1C
InChIInChI=1S/C17H26N2O/c1-4-7-13(2)17(20)18-16-9-8-15(12-14(16)3)19-10-5-6-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKeyGEVRNKFPDLXLDA-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide 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

5-amino-4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 82013453
1-(1-hydroxypentan-3-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111452861
(2R)-N-(4-bromo-2-methylphenyl)-2-methylpentanamide
CID 884269
(2R)-2-(carbamoylamino)-3-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)butanamide
CID 8007386
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
(2S)-4-methyl-2-[(4-methylphenyl)sulfonylamino]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide
CID 42154746
4-(2-methyl-4-pyrrolidin-1-ylanilino)-4-oxobutanoic acid
CID 60662781
1-(1-hydroxy-2-methylbutan-2-yl)-3-(2-methyl-4-pyrrolidin-1-ylphenyl)urea
CID 111925893
2-(4-methylphenyl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 16563389
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-methyl-3-phenylsulfanylpropanamide
CID 86933446
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
(Z)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)but-2-enamide
CID 97305240

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide (CID 78775437) is 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide is CCCC(C)C(=O)Nc1ccc(N2CCCC2)cc1C.
What is the InChIKey of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is GEVRNKFPDLXLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-7-13(2)17(20)18-16-9-8-15(12-14(16)3)19-10-5-6-11-19/h8-9,12-13H,4-7,10-11H2,1-3H3,(H,18,20).
What are the key properties of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide?
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 274.41 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 78775437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).