2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide

C19H20N2O4 — CID 168990257

IUPAC2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(=O)c1ccc2c(c1)OCO2)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-21(19(23)15(20)9-13-5-3-2-4-6-13)11-16(22)14-7-8-17-18(10-14)25-12-24-17/h2-8,10,15H,9,11-12,20H2,1H3
InChIKeyFEMHOLWKYNBTMI-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.63
Rot. Bonds6

About 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide

2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide (PubChem CID 168990257) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide
PubChem CID168990257
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide
SMILESCN(CC(=O)c1ccc2c(c1)OCO2)C(=O)C(N)Cc1ccccc1
InChIInChI=1S/C19H20N2O4/c1-21(19(23)15(20)9-13-5-3-2-4-6-13)11-16(22)14-7-8-17-18(10-14)25-12-24-17/h2-8,10,15H,9,11-12,20H2,1H3
InChIKeyFEMHOLWKYNBTMI-UHFFFAOYSA-N
XLogP1.63
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-[[1-(1,3-benzodioxol-5-yl)-1-oxopropan-2-yl]-methylamino]-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 177118521
1-(1,3-benzodioxol-5-yl)-3-methyl-4-phenylbutan-1-one
CID 150018494
2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenylpropan-1-one
CID 116552522
7-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-methylamino]-7-oxoheptanoic acid
CID 168989865
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
(2R)-2-amino-N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-phenylpropanamide
CID 78984867
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
3-amino-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-oxobutanoic acid
CID 64896499
1-(1,3-benzodioxol-5-yl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61429193
(2S)-2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpropanamide;hydrochloride
CID 119272094
(2R)-2-amino-N-methyl-N-[(5-methylthiophen-2-yl)methyl]-3-phenylpropanamide
CID 97324897
N-benzyl-N-propan-2-yl-1,3-benzodioxole-5-carboxamide
CID 2813483

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide (CID 168990257) is 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide is CN(CC(=O)c1ccc2c(c1)OCO2)C(=O)C(N)Cc1ccccc1.
What is the InChIKey of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
The InChIKey is FEMHOLWKYNBTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-21(19(23)15(20)9-13-5-3-2-4-6-13)11-16(22)14-7-8-17-18(10-14)25-12-24-17/h2-8,10,15H,9,11-12,20H2,1H3.
What are the key properties of 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide?
2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide has a molecular weight of 340.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 168990257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).