3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

C20H24N2O4 — CID 110621655

IUPAC3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H24N2O4/c23-20(8-6-15-5-7-18-19(12-15)26-14-25-18)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-5,7,11-12,16H,1-2,6,8-10,13-14H2,(H,21,23)
InChIKeyFOQQHPGPCZISGL-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.89
Rot. Bonds7

About 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 110621655) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID110621655
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)NCC(c1ccco1)N1CCCC1
InChIInChI=1S/C20H24N2O4/c23-20(8-6-15-5-7-18-19(12-15)26-14-25-18)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-5,7,11-12,16H,1-2,6,8-10,13-14H2,(H,21,23)
InChIKeyFOQQHPGPCZISGL-UHFFFAOYSA-N
XLogP2.89
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 4780259
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 42457175
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]urea
CID 51291063
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 8700451
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-(4-methylphenyl)acetamide
CID 41099008
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
3-(2,4-dichlorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]propanamide
CID 46605718
2-(3,4-dimethylphenyl)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]acetamide
CID 40750980
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide (CID 110621655) is 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)NCC(c1ccco1)N1CCCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is FOQQHPGPCZISGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c23-20(8-6-15-5-7-18-19(12-15)26-14-25-18)21-13-16(17-4-3-11-24-17)22-9-1-2-10-22/h3-5,7,11-12,16H,1-2,6,8-10,13-14H2,(H,21,23).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 356.42 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 110621655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).