(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide

C19H22N2O3 — CID 2485208

IUPAC(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide
SMILESC[C@@H](NCc1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(19(22)21(2)12-15-6-4-3-5-7-15)20-11-16-8-9-17-18(10-16)24-13-23-17/h3-10,14,20H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyDBFJIQHGAAZISO-CQSZACIVSA-N
MW326.40 g/mol
LogP2.55
Rot. Bonds6

About (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide

(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide (PubChem CID 2485208) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide
PubChem CID2485208
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide
SMILESC[C@@H](NCc1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C19H22N2O3/c1-14(19(22)21(2)12-15-6-4-3-5-7-15)20-11-16-8-9-17-18(10-16)24-13-23-17/h3-10,14,20H,11-13H2,1-2H3/t14-/m1/s1
InChIKeyDBFJIQHGAAZISO-CQSZACIVSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide;oxalic acid
CID 18774706
2-(1,3-benzodioxol-5-ylmethylamino)-1-phenylpropan-1-one
CID 82100052
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-N,N-dimethylpropanamide
CID 60871279
ethyl (2S)-2-(1,3-benzodioxol-5-ylmethylamino)propanoate
CID 94214206
2-(1,3-benzodioxol-5-ylmethylamino)-N-prop-2-ynylpropanamide
CID 60720092
[1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 55324218
2-acetamido-N-(1,3-benzodioxol-5-ylmethyl)-N,3-dimethylbutanamide
CID 78800990
(2S)-2-amino-N-(1,3-benzodioxol-5-ylmethyl)-N,4-dimethylpentanamide;hydrochloride
CID 119690339
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-phenylethylamino)acetamide
CID 84867168
2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)-N,N-diethylpropanamide
CID 43424955
methyl 2-(1,3-benzodioxol-5-ylmethylamino)-2-phenylacetate
CID 82344699
3-amino-4-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-4-oxobutanoic acid
CID 64896499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide?
The IUPAC name of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide (CID 2485208) is (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide?
The canonical SMILES for (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide is C[C@@H](NCc1ccc2c(c1)OCO2)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide?
The InChIKey is DBFJIQHGAAZISO-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14(19(22)21(2)12-15-6-4-3-5-7-15)20-11-16-8-9-17-18(10-16)24-13-23-17/h3-10,14,20H,11-13H2,1-2H3/t14-/m1/s1.
What are the key properties of (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide?
(2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide has a molecular weight of 326.40 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,3-benzodioxol-5-ylmethylamino)-N-benzyl-N-methylpropanamide is sourced from PubChem (CID 2485208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).