2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C22H27N3O4 — CID 17412017

IUPAC2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C22H27N3O4/c1-14-7-15(2)22(16(3)8-14)24-20(26)10-23-21(27)12-25(4)11-17-5-6-18-19(9-17)29-13-28-18/h5-9H,10-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGTJZNDFWNKVWFZ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.53
Rot. Bonds7

About 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 17412017) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID17412017
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(C)c1
InChIInChI=1S/C22H27N3O4/c1-14-7-15(2)22(16(3)8-14)24-20(26)10-23-21(27)12-25(4)11-17-5-6-18-19(9-17)29-13-28-18/h5-9H,10-13H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGTJZNDFWNKVWFZ-UHFFFAOYSA-N
XLogP2.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 8748478
2-[acetyl(1,3-benzodioxol-5-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113163284
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8747887
2-[[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 38878190
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-phenylethyl)acetamide
CID 8924126
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-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8746746
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
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-(3-methylphenoxy)ethyl]acetamide
CID 26548129
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 9261592

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 17412017) is 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CNC(=O)CN(C)Cc2ccc3c(c2)OCO3)c(C)c1.
What is the InChIKey of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is GTJZNDFWNKVWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-14-7-15(2)22(16(3)8-14)24-20(26)10-23-21(27)12-25(4)11-17-5-6-18-19(9-17)29-13-28-18/h5-9H,10-13H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 397.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]acetyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 17412017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).