2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide

C20H23NO4 — CID 113197724

IUPAC2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO4/c1-20(2,15-8-9-17-18(12-15)25-13-24-17)19(22)21-11-10-14-6-4-5-7-16(14)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyFQHQPWSCGPSGLN-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.06
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide

2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide (PubChem CID 113197724) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
PubChem CID113197724
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
SMILESCOc1ccccc1CCNC(=O)C(C)(C)c1ccc2c(c1)OCO2
InChIInChI=1S/C20H23NO4/c1-20(2,15-8-9-17-18(12-15)25-13-24-17)19(22)21-11-10-14-6-4-5-7-16(14)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22)
InChIKeyFQHQPWSCGPSGLN-UHFFFAOYSA-N
XLogP3.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide
CID 113197369
2-(1,3-benzodioxol-5-yl)-2-methyl-N-propylpropanamide
CID 113197678
N-[2-(2-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 15179102
2-(1,3-benzodioxol-5-yl)-N-benzyl-2-methylpropanamide
CID 113197703
3-amino-N-[2-(2-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 106260825
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 113197917
3-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrrolidine-1-carboxamide
CID 110612243
N-(1,3-benzodioxol-5-ylmethyl)-2-(2-methoxyphenyl)ethanamine;oxalic acid
CID 17367665
N-(1,3-benzodioxol-5-yl)-N'-[(2-methoxyphenyl)methyl]-2,2-dimethylpropanediamide
CID 108962983
2,2,3,3,3-pentafluoro-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 584158
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(ethylamino)ethyl]-2-methylpropanamide
CID 119504951
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpropanamide
CID 113197919

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide (CID 113197724) is 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide is COc1ccccc1CCNC(=O)C(C)(C)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
The InChIKey is FQHQPWSCGPSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-20(2,15-8-9-17-18(12-15)25-13-24-17)19(22)21-11-10-14-6-4-5-7-16(14)23-3/h4-9,12H,10-11,13H2,1-3H3,(H,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide?
2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide has a molecular weight of 341.41 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 113197724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).