3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride

C20H25ClN2O4 — CID 119951448

IUPAC3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride
SMILESCOCCN(Cc1ccc2c(c1)OCO2)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H24N2O4.ClH/c1-24-10-9-22(13-15-7-8-18-19(11-15)26-14-25-18)20(23)12-17(21)16-5-3-2-4-6-16;/h2-8,11,17H,9-10,12-14,21H2,1H3;1H
InChIKeyWRYXFJNAQMLPOD-UHFFFAOYSA-N
MW392.88 g/mol
LogP2.90
Rot. Bonds8

About 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride

3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride (PubChem CID 119951448) has the molecular formula C20H25ClN2O4 and a molecular weight of 392.88 g/mol. Its IUPAC name is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride
PubChem CID119951448
Molecular FormulaC20H25ClN2O4
Molecular Weight392.88 g/mol
Exact Mass392.15
IUPAC Name3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride
SMILESCOCCN(Cc1ccc2c(c1)OCO2)C(=O)CC(N)c1ccccc1.Cl
InChIInChI=1S/C20H24N2O4.ClH/c1-24-10-9-22(13-15-7-8-18-19(11-15)26-14-25-18)20(23)12-17(21)16-5-3-2-4-6-16;/h2-8,11,17H,9-10,12-14,21H2,1H3;1H
InChIKeyWRYXFJNAQMLPOD-UHFFFAOYSA-N
XLogP2.90
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.88
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminophenyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)propanamide;hydrochloride
CID 120610684
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-N-(2-methylpropyl)-3-phenylpropanamide
CID 58080497
3-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-3-phenylpropanamide
CID 60980754
N-(1,3-benzodioxol-5-ylmethyl)-2-(cyclopropylmethylamino)-N-(2-methoxyethyl)acetamide
CID 119782947
3-(1,3-benzodioxol-5-yl)-N-(2-methoxyethyl)-N-methyl-3-phenylpropanamide
CID 45247426
trans-(1R,2R)-2-[1,3-benzodioxol-5-ylmethyl(2-methoxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 125131926
5-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-methylbenzamide;hydrochloride
CID 120632437
4-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-3-methoxybutanamide;hydrochloride
CID 120587229
[2-[benzyl(2-methoxyethyl)amino]-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate
CID 9337417
N-[2-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(2-methoxyethyl)-2-methylpropanamide
CID 4639395
4-[[1,3-benzodioxol-5-ylmethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 122023297
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119782938

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride (CID 119951448) is 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride is COCCN(Cc1ccc2c(c1)OCO2)C(=O)CC(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride?
The InChIKey is WRYXFJNAQMLPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4.ClH/c1-24-10-9-22(13-15-7-8-18-19(11-15)26-14-25-18)20(23)12-17(21)16-5-3-2-4-6-16;/h2-8,11,17H,9-10,12-14,21H2,1H3;1H.
What are the key properties of 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride?
3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride has a molecular weight of 392.88 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119951448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).