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

C15H23N3O — CID 43713003

IUPAC2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-2-5-14(16)15(19)17-12-6-8-13(9-7-12)18-10-3-4-11-18/h6-9,14H,2-5,10-11,16H2,1H3,(H,17,19)
InChIKeySOGFECGLSSYMAY-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.35
Rot. Bonds5

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

2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide (PubChem CID 43713003) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
PubChem CID43713003
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide
SMILESCCCC(N)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N3O/c1-2-5-14(16)15(19)17-12-6-8-13(9-7-12)18-10-3-4-11-18/h6-9,14H,2-5,10-11,16H2,1H3,(H,17,19)
InChIKeySOGFECGLSSYMAY-UHFFFAOYSA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(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

(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
(2S)-2-amino-N-[4-(4-methylpiperidin-1-yl)phenyl]pentanamide
CID 107569286
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 119278079
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2R)-2-amino-N-[4-(triazol-2-yl)phenyl]pentanamide
CID 103795568
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2R)-2-amino-N-[4-(azepan-1-yl)phenyl]-3-methylbutanamide
CID 79011906
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)phenyl]pentanamide
CID 107569254
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide?
The IUPAC name of 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide (CID 43713003) is 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide.
What is the SMILES notation for 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide?
The canonical SMILES for 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide is CCCC(N)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide?
The InChIKey is SOGFECGLSSYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-5-14(16)15(19)17-12-6-8-13(9-7-12)18-10-3-4-11-18/h6-9,14H,2-5,10-11,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide?
2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide has a molecular weight of 261.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-pyrrolidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 43713003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).