2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide

C24H31N3O4 — CID 42851103

IUPAC2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H31N3O4/c1-25(16-20-5-3-2-4-6-20)24(28)18-27(10-9-26-11-13-29-14-12-26)17-21-7-8-22-23(15-21)31-19-30-22/h2-8,15H,9-14,16-19H2,1H3
InChIKeyNUQDMKUZOMWKFM-UHFFFAOYSA-N
MW425.53 g/mol
LogP2.21
Rot. Bonds9

About 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide

2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide (PubChem CID 42851103) has the molecular formula C24H31N3O4 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
PubChem CID42851103
Molecular FormulaC24H31N3O4
Molecular Weight425.53 g/mol
Exact Mass425.23
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide
SMILESCN(Cc1ccccc1)C(=O)CN(CCN1CCOCC1)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C24H31N3O4/c1-25(16-20-5-3-2-4-6-20)24(28)18-27(10-9-26-11-13-29-14-12-26)17-21-7-8-22-23(15-21)31-19-30-22/h2-8,15H,9-14,16-19H2,1H3
InChIKeyNUQDMKUZOMWKFM-UHFFFAOYSA-N
XLogP2.21
TPSA54.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.53
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 42724305
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 42858013
2-[benzyl(propyl)amino]-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)acetamide
CID 46671885
2-[1,3-benzodioxol-5-ylmethyl(methylsulfonyl)amino]-N-benzyl-N-methylacetamide
CID 113151369
[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 42851016
N-(1,3-benzodioxol-5-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-phenyl-1,3-oxazole-4-carboxamide
CID 42793348
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)urea
CID 42723901
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-morpholin-4-ylpropyl)-4-pentylbenzamide
CID 42725267
ethyl 1-[5-[[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]methyl]furan-2-carbonyl]piperidine-3-carboxylate
CID 46043649
N'-benzyl-N'-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 107367226
N-(1,3-benzodioxol-5-ylmethyl)-2-(ethylamino)-N-methylacetamide
CID 60685568

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide (CID 42851103) is 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide is CN(Cc1ccccc1)C(=O)CN(CCN1CCOCC1)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide?
The InChIKey is NUQDMKUZOMWKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O4/c1-25(16-20-5-3-2-4-6-20)24(28)18-27(10-9-26-11-13-29-14-12-26)17-21-7-8-22-23(15-21)31-19-30-22/h2-8,15H,9-14,16-19H2,1H3.
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide?
2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide has a molecular weight of 425.53 g/mol, XLogP of 2.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(2-morpholin-4-ylethyl)amino]-N-benzyl-N-methylacetamide is sourced from PubChem (CID 42851103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).