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

C16H25N3O — CID 116649928

IUPACN-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(2)19(11)13(3)16(20)18-10-14-6-8-15(17)9-7-14/h6-9,11-13H,4-5,10,17H2,1-3H3,(H,18,20)
InChIKeyJRUILQMTMNOQHN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.15
Rot. Bonds4

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

N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (PubChem CID 116649928) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
PubChem CID116649928
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
SMILESCC1CCC(C)N1C(C)C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C16H25N3O/c1-11-4-5-12(2)19(11)13(3)16(20)18-10-14-6-8-15(17)9-7-14/h6-9,11-13H,4-5,10,17H2,1-3H3,(H,18,20)
InChIKeyJRUILQMTMNOQHN-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.15
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)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 63214737
(2S)-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 95291139
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 98753721
(2R)-2-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-N-[(3-fluoro-2-pyridinyl)methyl]propanamide
CID 98852588
N-[(4-aminophenyl)methyl]-2-methylpentanamide
CID 60891259
N-[(4-aminophenyl)methyl]-4-methylpiperidine-1-carboxamide
CID 79160564
(2S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]propanamide
CID 124845276
N-(2-amino-2-cyclopropylethyl)-2-(2,5-dimethylpyrrolidin-1-yl)propanamide
CID 113282148
3-amino-2-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 120502841
(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
1-[1-(benzylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906793
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide (CID 116649928) is N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is CC1CCC(C)N1C(C)C(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
The InChIKey is JRUILQMTMNOQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11-4-5-12(2)19(11)13(3)16(20)18-10-14-6-8-15(17)9-7-14/h6-9,11-13H,4-5,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide?
N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide has a molecular weight of 275.40 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-(2,5-dimethylpyrrolidin-1-yl)propanamide is sourced from PubChem (CID 116649928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).