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

C22H22N2O3 — CID 9261592

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-24(13-17-6-8-18-4-2-3-5-19(18)10-17)14-22(25)23-12-16-7-9-20-21(11-16)27-15-26-20/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyAWRRXOAXXZQDSH-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.32
Rot. Bonds6

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

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide (PubChem CID 9261592) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
PubChem CID9261592
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1
InChIInChI=1S/C22H22N2O3/c1-24(13-17-6-8-18-4-2-3-5-19(18)10-17)14-22(25)23-12-16-7-9-20-21(11-16)27-15-26-20/h2-11H,12-15H2,1H3,(H,23,25)
InChIKeyAWRRXOAXXZQDSH-UHFFFAOYSA-N
XLogP3.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964172
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 26626298
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18088813
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 51200052
2-[acetyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161193
2-[methyl(naphthalen-2-ylmethyl)amino]-N-(2-phenylethyl)acetamide
CID 9261639
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(4-phenoxyphenyl)acetamide
CID 8746165
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]acetamide
CID 26425733
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 26548129
N-(1,3-benzodioxol-5-ylmethyl)-2-(N-benzylanilino)acetamide
CID 108998861
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113163228

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide (CID 9261592) is N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide is CN(CC(=O)NCc1ccc2c(c1)OCO2)Cc1ccc2ccccc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide?
The InChIKey is AWRRXOAXXZQDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-24(13-17-6-8-18-4-2-3-5-19(18)10-17)14-22(25)23-12-16-7-9-20-21(11-16)27-15-26-20/h2-11H,12-15H2,1H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide has a molecular weight of 362.43 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 9261592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).