2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide

C21H26N2O3 — CID 18144830

IUPAC2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)c1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C21H26N2O3/c1-3-23(13-17-9-10-19-20(11-17)26-15-25-19)14-21(24)22-12-16(2)18-7-5-4-6-8-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyZXWOPVNBZLKMCB-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.16
Rot. Bonds8

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

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide (PubChem CID 18144830) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
PubChem CID18144830
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide
SMILESCCN(CC(=O)NCC(C)c1ccccc1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C21H26N2O3/c1-3-23(13-17-9-10-19-20(11-17)26-15-25-19)14-21(24)22-12-16(2)18-7-5-4-6-8-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,24)
InChIKeyZXWOPVNBZLKMCB-UHFFFAOYSA-N
XLogP3.16
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 18144838
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8531553
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S)-2-phenylpropyl]propanamide
CID 31946505
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-cycloheptylacetamide
CID 51260808
3-(1,3-benzodioxol-5-yl)-N-(2-phenylbutyl)propanamide
CID 46657659
1-(1,3-benzodioxol-5-ylmethyl)-3-ethyl-1-(1-phenylethyl)urea
CID 42725590
3-[[2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]acetyl]amino]-N,N-diethylbenzamide
CID 46458841
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8660053
5-(1,3-benzodioxol-5-ylmethyl)-N-(2-phenylpropyl)-1,3,4-oxadiazole-2-carboxamide
CID 22431907
N-(1,3-benzodioxol-5-ylmethyl)-2-[ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]amino]acetamide
CID 8906099
2-[acetyl(1-phenylethyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 113161974
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylbenzamide
CID 60655508

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide (CID 18144830) is 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide is CCN(CC(=O)NCC(C)c1ccccc1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide?
The InChIKey is ZXWOPVNBZLKMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-23(13-17-9-10-19-20(11-17)26-15-25-19)14-21(24)22-12-16(2)18-7-5-4-6-8-18/h4-11,16H,3,12-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide?
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(2-phenylpropyl)acetamide has a molecular weight of 354.45 g/mol, XLogP of 3.16, 8 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(ethyl)amino]-N-(2-phenylpropyl)acetamide is sourced from PubChem (CID 18144830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).