1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one

C23H30N2O — CID 58847578

IUPAC1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one
SMILESCCCNCN1CCC(C(C(C)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O/c1-3-15-24-18-25-16-14-22(17-25)23(19(2)26,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22,24H,3,14-18H2,1-2H3
InChIKeyLKDWRMWIOKASPX-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.84
Rot. Bonds8

About 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one

1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one (PubChem CID 58847578) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one.

Molecular Properties

Compound Name1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one
PubChem CID58847578
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one
SMILESCCCNCN1CCC(C(C(C)=O)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C23H30N2O/c1-3-15-24-18-25-16-14-22(17-25)23(19(2)26,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22,24H,3,14-18H2,1-2H3
InChIKeyLKDWRMWIOKASPX-UHFFFAOYSA-N
XLogP3.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;1-[1-(hydroxymethyl)pyrrolidin-3-yl]-1,1-diphenylpropan-2-one
CID 90900220
2-[(3R)-1-[7-(methylamino)heptyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11600092
2-[(3S)-1-[3-[5-[3-(ethylamino)propyl]thiophen-2-yl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11271789
2-[1-(2-aminoethyl)pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 66858006
2-[1-[3-[4-[2-(methylamino)ethyl]phenyl]propyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 69036123
2-[(3S)-1-[2-(4-acetylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654453
1-(1-ethylpyrrolidin-3-yl)-N-(2-methylpropyl)-1,1-diphenylpropan-2-imine
CID 123178415
2-[(3R)-1-[9-(1-hydroxypropan-2-ylamino)nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11260152
2,2-diphenyl-2-[(3S)-1-[2-[4-[2-(propan-2-ylamino)ethyl]phenyl]ethyl]pyrrolidin-3-yl]acetamide
CID 11454189
2-[(3R)-1-[9-[[(2S)-1-hydroxypropan-2-yl]amino]nonyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 11306139
2-[(3R)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide
CID 18654449
2-[(3S)-1-(7-oxoheptyl)pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrochloride
CID 87396933

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one?
The IUPAC name of 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one (CID 58847578) is 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one.
What is the SMILES notation for 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one?
The canonical SMILES for 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one is CCCNCN1CCC(C(C(C)=O)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one?
The InChIKey is LKDWRMWIOKASPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-3-15-24-18-25-16-14-22(17-25)23(19(2)26,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-13,22,24H,3,14-18H2,1-2H3.
What are the key properties of 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one?
1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one has a molecular weight of 350.51 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-1-[1-(propylaminomethyl)pyrrolidin-3-yl]propan-2-one is sourced from PubChem (CID 58847578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).