N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide

C15H23N3O — CID 55162890

IUPACN-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1N)N1CCCC1(C)C
InChIInChI=1S/C15H23N3O/c1-11(18-10-6-9-15(18,2)3)14(19)17-13-8-5-4-7-12(13)16/h4-5,7-8,11H,6,9-10,16H2,1-3H3,(H,17,19)
InChIKeyHLIRSSSGIYGWNK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds3

About N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide

N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 55162890) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide
PubChem CID55162890
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccccc1N)N1CCCC1(C)C
InChIInChI=1S/C15H23N3O/c1-11(18-10-6-9-15(18,2)3)14(19)17-13-8-5-4-7-12(13)16/h4-5,7-8,11H,6,9-10,16H2,1-3H3,(H,17,19)
InChIKeyHLIRSSSGIYGWNK-UHFFFAOYSA-N
XLogP2.47
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.47
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

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N-(2-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
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CID 119422814
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[1-(2-aminoanilino)-1-oxopropan-2-yl] acetate
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N-(2-aminophenyl)-2-[cyclopropyl(propyl)amino]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide (CID 55162890) is N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide is CC(C(=O)Nc1ccccc1N)N1CCCC1(C)C.
What is the InChIKey of N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is HLIRSSSGIYGWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(18-10-6-9-15(18,2)3)14(19)17-13-8-5-4-7-12(13)16/h4-5,7-8,11H,6,9-10,16H2,1-3H3,(H,17,19).
What are the key properties of N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide?
N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 261.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 55162890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).