2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride

C19H24ClN3O3 — CID 120871773

IUPAC2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N3O3.ClH/c20-9-11-22(10-8-15-4-2-1-3-5-15)13-19(23)21-16-6-7-17-18(12-16)25-14-24-17;/h1-7,12H,8-11,13-14,20H2,(H,21,23);1H
InChIKeyBXBUKNYDHVOMQF-UHFFFAOYSA-N
MW377.87 g/mol
LogP2.28
Rot. Bonds8

About 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride

2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride (PubChem CID 120871773) has the molecular formula C19H24ClN3O3 and a molecular weight of 377.87 g/mol. Its IUPAC name is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
PubChem CID120871773
Molecular FormulaC19H24ClN3O3
Molecular Weight377.87 g/mol
Exact Mass377.15
IUPAC Name2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride
SMILESCl.NCCN(CCc1ccccc1)CC(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C19H23N3O3.ClH/c20-9-11-22(10-8-15-4-2-1-3-5-15)13-19(23)21-16-6-7-17-18(12-16)25-14-24-17;/h1-7,12H,8-11,13-14,20H2,(H,21,23);1H
InChIKeyBXBUKNYDHVOMQF-UHFFFAOYSA-N
XLogP2.28
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.87
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)acetamide
CID 120871931
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
2-[2-aminoethyl(2-phenylethyl)amino]-N-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 120871664
N-(1,3-benzodioxol-5-yl)-2-(dipropylamino)acetamide
CID 34599368
2-(dibenzylamino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 112781040
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-phenylpropanamide
CID 110370617
2-amino-N-(1,3-benzodioxol-5-yl)acetamide
CID 22690417
N-(1,3-benzodioxol-5-yl)-N'-benzyl-N'-methylpropanediamide
CID 108946171
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2,4-dimethylphenyl)acetamide;hydrochloride
CID 120871779
N-(1,3-benzodioxol-5-yl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840907
2-[2-aminoethyl(2-phenylethyl)amino]-N-(2-bromophenyl)acetamide
CID 120872242
N-(2-aminoethyl)-2-(1,3-benzodioxol-5-yl)-N-(2-phenylethyl)acetamide
CID 120886994

Frequently Asked Questions

What is the IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
The IUPAC name of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride (CID 120871773) is 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
The canonical SMILES for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride is Cl.NCCN(CCc1ccccc1)CC(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
The InChIKey is BXBUKNYDHVOMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3.ClH/c20-9-11-22(10-8-15-4-2-1-3-5-15)13-19(23)21-16-6-7-17-18(12-16)25-14-24-17;/h1-7,12H,8-11,13-14,20H2,(H,21,23);1H.
What are the key properties of 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride?
2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride has a molecular weight of 377.87 g/mol, XLogP of 2.28, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-aminoethyl(2-phenylethyl)amino]-N-(1,3-benzodioxol-5-yl)acetamide;hydrochloride is sourced from PubChem (CID 120871773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).