N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

C15H23N3O — CID 63214737

IUPACN-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H23N3O/c1-10-4-5-11(2)18(10)12(3)15(19)17-14-8-6-13(16)7-9-14/h6-12H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyFVTYTDLCTBNZPQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.47
Rot. Bonds3

About N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide

N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 63214737) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
PubChem CID63214737
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C15H23N3O/c1-10-4-5-11(2)18(10)12(3)15(19)17-14-8-6-13(16)7-9-14/h6-12H,4-5,16H2,1-3H3,(H,17,19)
InChIKeyFVTYTDLCTBNZPQ-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 116649928
1-[1-(4-aminoanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 16781124
5-[[(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propanoyl]amino]-2,3-dihydroindole-1-carboxamide
CID 98852712
N-(4-aminophenyl)-2-piperazin-1-ylpropanamide
CID 82224554
N-(4-aminophenyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propanamide
CID 81195909
(2R)-N-(4-aminophenyl)-2-fluoropropanamide
CID 131168097
N-(4-aminophenyl)-2-bromopropanamide
CID 57300084
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
(2S,6R)-N-(4-aminophenyl)-2,6-dimethylpiperidine-1-carboxamide
CID 93056889
N-(4-aminophenyl)-2,3,3-trimethylbutanamide
CID 89148503
N-(4-cyanophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 43176778
N-(4-aminophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)propanamide
CID 107453563

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (CID 63214737) is N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is CC1CCC(C)N1C(C)C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is FVTYTDLCTBNZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-10-4-5-11(2)18(10)12(3)15(19)17-14-8-6-13(16)7-9-14/h6-12H,4-5,16H2,1-3H3,(H,17,19).
What are the key properties of N-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
N-(4-aminophenyl)-2-(2,5-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-(4-aminophenyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 63214737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).