2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide

C19H22N2O3 — CID 8924126

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O3/c1-21(12-16-7-8-17-18(11-16)24-14-23-17)13-19(22)20-10-9-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3,(H,20,22)
InChIKeyABFAFHHQUDSWQZ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.21
Rot. Bonds7

About 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide (PubChem CID 8924126) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
PubChem CID8924126
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
SMILESCN(CC(=O)NCCc1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C19H22N2O3/c1-21(12-16-7-8-17-18(11-16)24-14-23-17)13-19(22)20-10-9-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3,(H,20,22)
InChIKeyABFAFHHQUDSWQZ-UHFFFAOYSA-N
XLogP2.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088813
2-[benzyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 54808729
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
2-(1,3-benzodioxol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110767409
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26548129
2-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 110767389
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(2-phenylethyl)acetamide
CID 9028707
N-[2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]ethyl]-3-phenylpropanamide
CID 113055114

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide (CID 8924126) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide is CN(CC(=O)NCCc1ccccc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide?
The InChIKey is ABFAFHHQUDSWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(12-16-7-8-17-18(11-16)24-14-23-17)13-19(22)20-10-9-15-5-3-2-4-6-15/h2-8,11H,9-10,12-14H2,1H3,(H,20,22).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.21, 7 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-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 8924126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).