2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride

C13H20ClN3O — CID 119164504

IUPAC2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccccc1N1CCCC1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-10(14)13(17)15-11-6-2-3-7-12(11)16-8-4-5-9-16;/h2-3,6-7,10H,4-5,8-9,14H2,1H3,(H,15,17);1H
InChIKeyNWKBLKURYHWQRP-UHFFFAOYSA-N
MW269.78 g/mol
LogP1.99
Rot. Bonds3

About 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride

2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride (PubChem CID 119164504) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
PubChem CID119164504
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccccc1N1CCCC1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-10(14)13(17)15-11-6-2-3-7-12(11)16-8-4-5-9-16;/h2-3,6-7,10H,4-5,8-9,14H2,1H3,(H,15,17);1H
InChIKeyNWKBLKURYHWQRP-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-(2-piperidin-1-ylphenyl)propanamide
CID 47300267
(2S)-2-amino-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 107568445
2-methyl-3-(methylamino)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 79195677
2-methyl-N-(2-pyrrolidin-1-ylphenyl)pentanamide
CID 78792531
2,2-difluoro-N-(2-piperidin-1-ylphenyl)acetamide
CID 103600704
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
3-methyl-2-[(2-pyrrolidin-1-ylphenyl)carbamoylamino]butanamide
CID 75401430
(2R)-2-amino-N-(2-aminophenyl)propanamide;hydrochloride
CID 131153716
N-[2-(azepan-1-yl)phenyl]-2-hydroxy-2-phenylacetamide
CID 111432238
2-fluoro-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 52914895
2-(4-methylphenoxy)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 43024969
5-amino-N-(2-piperidin-1-ylphenyl)hexanamide
CID 82850412

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride?
The IUPAC name of 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride (CID 119164504) is 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride is CC(N)C(=O)Nc1ccccc1N1CCCC1.Cl.
What is the InChIKey of 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride?
The InChIKey is NWKBLKURYHWQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-10(14)13(17)15-11-6-2-3-7-12(11)16-8-4-5-9-16;/h2-3,6-7,10H,4-5,8-9,14H2,1H3,(H,15,17);1H.
What are the key properties of 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride?
2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-pyrrolidin-1-ylphenyl)propanamide;hydrochloride is sourced from PubChem (CID 119164504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).