N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide

C14H21N3O — CID 61223800

IUPACN-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C14H21N3O/c1-10-6-7-17(9-10)11(2)14(18)16-13-5-3-4-12(15)8-13/h3-5,8,10-11H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyQHORPEHJOCIAMI-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds3

About N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide

N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide (PubChem CID 61223800) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
PubChem CID61223800
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2cccc(N)c2)C1
InChIInChI=1S/C14H21N3O/c1-10-6-7-17(9-10)11(2)14(18)16-13-5-3-4-12(15)8-13/h3-5,8,10-11H,6-7,9,15H2,1-2H3,(H,16,18)
InChIKeyQHORPEHJOCIAMI-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
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

N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-(3-aminophenyl)-3-methyl-2-(4-methylpiperidin-1-yl)butanamide
CID 82224642
N-(3-amino-4-fluorophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide
CID 61223805
N-(3-aminophenyl)-2-piperidin-1-ylpropanamide
CID 16795783
N-(3-aminophenyl)-2-(4-propan-2-ylpiperazin-1-yl)propanamide
CID 43584975
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 8903614
N-(3-aminophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581148
N-(3-carbamothioylphenyl)-2-(3-methylpiperidin-1-yl)propanamide
CID 43103510
N-(3-aminophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propanamide
CID 106586020
N-(3-aminophenyl)-2-(2-ethylmorpholin-4-yl)propanamide
CID 43562298
N-(3-aminophenyl)-2-(3,5-dioxopiperazin-1-yl)propanamide
CID 66083868

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide (CID 61223800) is N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide is CC1CCN(C(C)C(=O)Nc2cccc(N)c2)C1.
What is the InChIKey of N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is QHORPEHJOCIAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-6-7-17(9-10)11(2)14(18)16-13-5-3-4-12(15)8-13/h3-5,8,10-11H,6-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide?
N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-(3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 61223800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).