N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide

C19H22N2O3 — CID 3240774

IUPACN-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-21(4-2)18(14-8-6-5-7-9-14)19(22)20-15-10-11-16-17(12-15)24-13-23-16/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyYSIQHSAUQUENCW-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.44
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide

N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide (PubChem CID 3240774) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide
PubChem CID3240774
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
InChIInChI=1S/C19H22N2O3/c1-3-21(4-2)18(14-8-6-5-7-9-14)19(22)20-15-10-11-16-17(12-15)24-13-23-16/h5-12,18H,3-4,13H2,1-2H3,(H,20,22)
InChIKeyYSIQHSAUQUENCW-UHFFFAOYSA-N
XLogP3.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propanamide
CID 674577
N-(2H-1,3-benzodioxol-5-yl)benzamide
CID 823562
1-Piperazinepropanamide, N-1,3-benzodioxol-5-yl-4-phenyl-
CID 1149630
N-(1,3-benzodioxol-5-yl)-2-(piperidin-1-yl)acetamide
CID 760826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpiperidin-1-yl)-2-phenylacetamide
CID 3240990
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)cyclohexanecarboxamide
CID 823577
N-(1,3-benzodioxol-5-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 863856
N-1,3-benzodioxol-5-yl-N'-(4-methylcyclohexyl)ethanediamide
CID 2223231
N-(1,3-benzodioxol-5-yl)-4-propoxybenzamide
CID 2225277
N-1,3-benzodioxol-5-yl-4-butoxybenzamide
CID 2233891
N-(1,3-benzodioxol-5-yl)-3-(4-methylphenoxy)propanamide
CID 2572085

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide (CID 3240774) is N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide is CCN(CC)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide?
The InChIKey is YSIQHSAUQUENCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-21(4-2)18(14-8-6-5-7-9-14)19(22)20-15-10-11-16-17(12-15)24-13-23-16/h5-12,18H,3-4,13H2,1-2H3,(H,20,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide?
N-(1,3-benzodioxol-5-yl)-2-(diethylamino)-2-phenylacetamide has a molecular weight of 326.40 g/mol, XLogP of 3.44, 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-yl)-2-(diethylamino)-2-phenylacetamide is sourced from PubChem (CID 3240774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).