3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

C20H25N3O — CID 120612518

IUPAC3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H25N3O/c21-19-9-5-4-6-17(19)10-11-20(24)22-14-16-12-13-23(15-16)18-7-2-1-3-8-18/h1-9,16H,10-15,21H2,(H,22,24)
InChIKeyBZVMGXPMAJVHJL-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.84
Rot. Bonds6

About 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide

3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (PubChem CID 120612518) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
PubChem CID120612518
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
SMILESNc1ccccc1CCC(=O)NCC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H25N3O/c21-19-9-5-4-6-17(19)10-11-20(24)22-14-16-12-13-23(15-16)18-7-2-1-3-8-18/h1-9,16H,10-15,21H2,(H,22,24)
InChIKeyBZVMGXPMAJVHJL-UHFFFAOYSA-N
XLogP2.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]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

3-(2,3-dichlorophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46453922
3-(2-aminophenyl)-N-[(1-ethylpyrrolidin-3-yl)methyl]propanamide
CID 60857376
2-(4-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide;dihydrochloride
CID 119854864
3-(2-aminophenyl)-N-(1-phenylpiperidin-4-yl)propanamide
CID 120612685
3-(4-methoxyphenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 46402981
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide
CID 70725512
3-(2-aminophenyl)-N-(thian-4-ylmethyl)propanamide
CID 107273399
2-(2-nitrophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 43064994
3-(2-aminophenyl)-N-[1-(4-bromophenyl)pyrrolidin-3-yl]propanamide
CID 120612958
N-[[(3R)-1-(4-chlorophenyl)pyrrolidin-3-yl]methyl]-3-(furan-2-yl)propanamide
CID 94809660
4-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 110640326
2-(2-hydroxyphenyl)sulfanyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97220298

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide (CID 120612518) is 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is Nc1ccccc1CCC(=O)NCC1CCN(c2ccccc2)C1.
What is the InChIKey of 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
The InChIKey is BZVMGXPMAJVHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c21-19-9-5-4-6-17(19)10-11-20(24)22-14-16-12-13-23(15-16)18-7-2-1-3-8-18/h1-9,16H,10-15,21H2,(H,22,24).
What are the key properties of 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide?
3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide has a molecular weight of 323.44 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[(1-phenylpyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120612518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).