3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide

C23H22N2O3 — CID 45226577

IUPAC3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc2c(c1)OCO2)NCCc1ccncc1
InChIInChI=1S/C23H22N2O3/c26-23(25-13-10-17-8-11-24-12-9-17)15-20(18-4-2-1-3-5-18)19-6-7-21-22(14-19)28-16-27-21/h1-9,11-12,14,20H,10,13,15-16H2,(H,25,26)
InChIKeyYAEHGXGGSXEKGQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.69
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide

3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 45226577) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID45226577
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESO=C(CC(c1ccccc1)c1ccc2c(c1)OCO2)NCCc1ccncc1
InChIInChI=1S/C23H22N2O3/c26-23(25-13-10-17-8-11-24-12-9-17)15-20(18-4-2-1-3-5-18)19-6-7-21-22(14-19)28-16-27-21/h1-9,11-12,14,20H,10,13,15-16H2,(H,25,26)
InChIKeyYAEHGXGGSXEKGQ-UHFFFAOYSA-N
XLogP3.69
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 45237619
3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide
CID 45240746
3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-1-ium-4-yl)ethyl]-3-phenylpropanamide
CID 75657869
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 72848588
2-(1,3-benzodioxol-5-yl)-N-(2-pyridin-4-ylethyl)-2-(2-pyridin-4-ylethylamino)acetamide
CID 56933401
(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400241
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400238
3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 45248528
3-(1,3-benzodioxol-5-yl)-N-[2-(dimethylsulfamoyl)ethyl]-3-phenylpropanamide
CID 72850656
3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-N-(2-phenylethyl)propanamide
CID 42801311
3-(1,3-benzodioxol-5-yl)-N-tert-butyl-3-phenylpropanamide
CID 45243758
3-(1,3-benzodioxol-5-yl)-3-(7-ethyl-1H-indol-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 42802325

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide (CID 45226577) is 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide is O=C(CC(c1ccccc1)c1ccc2c(c1)OCO2)NCCc1ccncc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is YAEHGXGGSXEKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-23(25-13-10-17-8-11-24-12-9-17)15-20(18-4-2-1-3-5-18)19-6-7-21-22(14-19)28-16-27-21/h1-9,11-12,14,20H,10,13,15-16H2,(H,25,26).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 374.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 45226577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).