3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide

C22H21NO4 — CID 45240746

IUPAC3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccc2c(c1)OCO2)NCCc1ccco1
InChIInChI=1S/C22H21NO4/c24-22(23-11-10-18-7-4-12-25-18)14-19(16-5-2-1-3-6-16)17-8-9-20-21(13-17)27-15-26-20/h1-9,12-13,19H,10-11,14-15H2,(H,23,24)
InChIKeyTVPQHDLCJNZKLU-UHFFFAOYSA-N
MW363.41 g/mol
LogP3.89
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide

3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide (PubChem CID 45240746) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide
PubChem CID45240746
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide
SMILESO=C(CC(c1ccccc1)c1ccc2c(c1)OCO2)NCCc1ccco1
InChIInChI=1S/C22H21NO4/c24-22(23-11-10-18-7-4-12-25-18)14-19(16-5-2-1-3-6-16)17-8-9-20-21(13-17)27-15-26-20/h1-9,12-13,19H,10-11,14-15H2,(H,23,24)
InChIKeyTVPQHDLCJNZKLU-UHFFFAOYSA-N
XLogP3.89
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,3-benzodioxol-5-yl)-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 45226577
3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-1-ium-4-yl)ethyl]-3-phenylpropanamide
CID 75657869
3-(1,3-benzodioxol-5-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-3-phenylpropanamide
CID 45237619
(3S)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400238
(3R)-3-(1,3-benzodioxol-5-yl)-N-methyl-3-phenylpropanamide
CID 26400241
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
N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 72848588
3-(1,3-benzodioxol-5-yl)-N-tert-butyl-3-phenylpropanamide
CID 45243758
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
2-(1,3-benzodioxol-5-yl)-2-(furan-2-ylmethylamino)acetic acid
CID 84748399
3-(1,3-benzodioxol-5-yl)-3-(1-ethylindol-3-yl)-N-(2-phenylethyl)propanamide
CID 42801311

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide (CID 45240746) is 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide is O=C(CC(c1ccccc1)c1ccc2c(c1)OCO2)NCCc1ccco1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide?
The InChIKey is TVPQHDLCJNZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c24-22(23-11-10-18-7-4-12-25-18)14-19(16-5-2-1-3-6-16)17-8-9-20-21(13-17)27-15-26-20/h1-9,12-13,19H,10-11,14-15H2,(H,23,24).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide?
3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide has a molecular weight of 363.41 g/mol, XLogP of 3.89, 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)-N-[2-(furan-2-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 45240746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).