2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one

C16H25N3O — CID 63233777

IUPAC2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)N1CCCC1
InChIInChI=1S/C16H25N3O/c1-3-10-19(15-8-6-14(17)7-9-15)13(2)16(20)18-11-4-5-12-18/h6-9,13H,3-5,10-12,17H2,1-2H3
InChIKeyPCFOAGBIMARDCC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.50
Rot. Bonds5

About 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one

2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 63233777) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID63233777
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCCCN(c1ccc(N)cc1)C(C)C(=O)N1CCCC1
InChIInChI=1S/C16H25N3O/c1-3-10-19(15-8-6-14(17)7-9-15)13(2)16(20)18-11-4-5-12-18/h6-9,13H,3-5,10-12,17H2,1-2H3
InChIKeyPCFOAGBIMARDCC-UHFFFAOYSA-N
XLogP2.50
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
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

2-(4-amino-N-propylanilino)propanamide
CID 63233906
2-(4-amino-N-propylanilino)-N-cyclopentylpropanamide
CID 63233776
2-(4-amino-N-propylanilino)-N-ethylpropanamide
CID 63233950
2-(4-amino-N-propylanilino)-N-(methylcarbamoyl)propanamide
CID 63233816
2-(4-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)anilino)acetic acid
CID 60840589
2-(N-(1-oxo-1-piperidin-1-ylpropan-2-yl)anilino)acetic acid
CID 60839940
2-(4-aminophenyl)sulfonyl-1-pyrrolidin-1-ylpropan-1-one
CID 61369164
2-(4-aminophenyl)sulfinyl-1-pyrrolidin-1-ylpropan-1-one
CID 61368489
[5-amino-2-(dipropylamino)phenyl]-pyrrolidin-1-ylmethanone
CID 91683050
[5-amino-2-(dipropylamino)phenyl]-piperidin-1-ylmethanone
CID 91683043
2-[(3-amino-2,2-dimethylpropyl)-propylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 79662316
(2R)-2-(4-ethyl-N-propylanilino)propanoic acid
CID 125045091

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one (CID 63233777) is 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one is CCCN(c1ccc(N)cc1)C(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is PCFOAGBIMARDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-3-10-19(15-8-6-14(17)7-9-15)13(2)16(20)18-11-4-5-12-18/h6-9,13H,3-5,10-12,17H2,1-2H3.
What are the key properties of 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one?
2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 275.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-propylanilino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 63233777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).