3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide

C15H23N3O — CID 55097553

IUPAC3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C15H23N3O/c16-14-6-2-1-5-13(14)7-8-15(19)17-9-12-18-10-3-4-11-18/h1-2,5-6H,3-4,7-12,16H2,(H,17,19)
InChIKeySDYRDIFGURBOFA-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.41
Rot. Bonds6

About 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide

3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (PubChem CID 55097553) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
PubChem CID55097553
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
SMILESNc1ccccc1CCC(=O)NCCN1CCCC1
InChIInChI=1S/C15H23N3O/c16-14-6-2-1-5-13(14)7-8-15(19)17-9-12-18-10-3-4-11-18/h1-2,5-6H,3-4,7-12,16H2,(H,17,19)
InChIKeySDYRDIFGURBOFA-UHFFFAOYSA-N
XLogP1.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
2-(2-aminophenyl)-N-[2-(azepan-1-yl)ethyl]acetamide
CID 61239604
4-[[3-(2-aminophenyl)propanoylamino]methyl]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 120613089
3-(2-aminophenyl)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]propanamide;dihydrochloride
CID 120613391
3-(2-aminophenyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]propanamide
CID 120612672
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073
3-(2-aminophenyl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 120612122
3-(2-aminophenyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]propanamide;dihydrochloride
CID 120612401
3-(2-aminophenyl)-N-[2-(carbamoylamino)ethyl]propanamide
CID 83114772
3-(2-aminophenyl)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide;dihydrochloride
CID 120612373
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
2-phenyl-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 975347

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide (CID 55097553) is 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide is Nc1ccccc1CCC(=O)NCCN1CCCC1.
What is the InChIKey of 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
The InChIKey is SDYRDIFGURBOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c16-14-6-2-1-5-13(14)7-8-15(19)17-9-12-18-10-3-4-11-18/h1-2,5-6H,3-4,7-12,16H2,(H,17,19).
What are the key properties of 3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide?
3-(2-aminophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 1.41, 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-(2-pyrrolidin-1-ylethyl)propanamide is sourced from PubChem (CID 55097553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).