N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide

C14H21N3O — CID 61221645

IUPACN-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(10-11)9-7-14(18)16-13-4-2-12(15)3-5-13/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyKFWABJKVVFMWQH-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds4

About N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide

N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide (PubChem CID 61221645) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
PubChem CID61221645
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(N)cc2)C1
InChIInChI=1S/C14H21N3O/c1-11-6-8-17(10-11)9-7-14(18)16-13-4-2-12(15)3-5-13/h2-5,11H,6-10,15H2,1H3,(H,16,18)
InChIKeyKFWABJKVVFMWQH-UHFFFAOYSA-N
XLogP1.94
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(3S)-3-methylpiperidin-1-yl]-N-phenylpropanamide
CID 739976
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N-(4-aminophenyl)-3-(4,4-dimethylpiperidin-1-yl)propanamide
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N-(4-carbamothioylphenyl)-3-(4-methylpiperidin-1-yl)propanamide
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N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
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CID 16778601
3-(3-methylpiperidin-1-yl)-N-(4-phenoxyphenyl)propanamide
CID 109032975
N-(3-aminophenyl)-3-(4-methylazepan-1-yl)propanamide
CID 63624788
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
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3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
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CID 16784105
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CID 43372575

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide (CID 61221645) is N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2ccc(N)cc2)C1.
What is the InChIKey of N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide?
The InChIKey is KFWABJKVVFMWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-6-8-17(10-11)9-7-14(18)16-13-4-2-12(15)3-5-13/h2-5,11H,6-10,15H2,1H3,(H,16,18).
What are the key properties of N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide?
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 61221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).