3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide

C14H21N3O — CID 43777430

IUPAC3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccccc1N1CCCC1
InChIInChI=1S/C14H21N3O/c15-14(18)7-8-16-11-12-5-1-2-6-13(12)17-9-3-4-10-17/h1-2,5-6,16H,3-4,7-11H2,(H2,15,18)
InChIKeyWSCUVPNIPIVHBU-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.25
Rot. Bonds6

About 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide

3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide (PubChem CID 43777430) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide.

Molecular Properties

Compound Name3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
PubChem CID43777430
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
SMILESNC(=O)CCNCc1ccccc1N1CCCC1
InChIInChI=1S/C14H21N3O/c15-14(18)7-8-16-11-12-5-1-2-6-13(12)17-9-3-4-10-17/h1-2,5-6,16H,3-4,7-11H2,(H2,15,18)
InChIKeyWSCUVPNIPIVHBU-UHFFFAOYSA-N
XLogP1.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(2-pyrrolidin-1-ylphenyl)methylamino]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',N'-dimethyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethane-1,2-diamine
CID 43220494
ethyl 2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetate
CID 54921193
3-[(2-pyrrolidin-1-ylphenyl)methylamino]butanamide
CID 115676792
N-ethyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]acetamide
CID 43221678
2-methyl-2-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide
CID 61220361
2-(2-piperidin-1-ylphenyl)acetohydrazide
CID 10847264
3-[(2-fluorophenyl)methylamino]propanamide
CID 43090001
2-ethoxy-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43778380
N,N-dimethyl-3-[(2-morpholin-4-ylphenyl)methylamino]propanamide
CID 71933821
N-[(2-bromophenyl)methyl]-1-(2-pyrrolidin-1-ylphenyl)methanamine
CID 61402192
1-[[(2-pyrrolidin-1-ylphenyl)methylamino]methyl]cyclobutan-1-ol
CID 115621560
2-morpholin-4-yl-N-[(2-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43220540

Frequently Asked Questions

What is the IUPAC name of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The IUPAC name of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide (CID 43777430) is 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide.
What is the SMILES notation for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The canonical SMILES for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide is NC(=O)CCNCc1ccccc1N1CCCC1.
What is the InChIKey of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
The InChIKey is WSCUVPNIPIVHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(18)7-8-16-11-12-5-1-2-6-13(12)17-9-3-4-10-17/h1-2,5-6,16H,3-4,7-11H2,(H2,15,18).
What are the key properties of 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide?
3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-pyrrolidin-1-ylphenyl)methylamino]propanamide is sourced from PubChem (CID 43777430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).