2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride

C10H13ClN2O3 — CID 119298911

IUPAC2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C10H12N2O3.ClH/c11-4-9(13)12-5-7-2-1-3-8-10(7)15-6-14-8;/h1-3H,4-6,11H2,(H,12,13);1H
InChIKeyZDNPONHKCIWDBP-UHFFFAOYSA-N
MW244.68 g/mol
LogP0.41
Rot. Bonds3

About 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride

2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride (PubChem CID 119298911) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
PubChem CID119298911
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC Name2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride
SMILESCl.NCC(=O)NCc1cccc2c1OCO2
InChIInChI=1S/C10H12N2O3.ClH/c11-4-9(13)12-5-7-2-1-3-8-10(7)15-6-14-8;/h1-3H,4-6,11H2,(H,12,13);1H
InChIKeyZDNPONHKCIWDBP-UHFFFAOYSA-N
XLogP0.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-4-ylmethyl)-4-hydroxybutanamide
CID 79192354
N-(1,3-benzodioxol-4-ylmethyl)-5-hydroxypentanamide
CID 79209486
6-(1,3-benzodioxol-4-ylmethylamino)-6-oxohexanoic acid
CID 61211522
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)propanamide
CID 61211159
N-(1,3-benzodioxol-4-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 61211918
2-[2-(1,3-benzodioxol-4-ylmethylamino)-2-oxoethoxy]acetic acid
CID 61327324
N-(1,3-benzodioxol-4-ylmethyl)-5-chloropentanamide
CID 61210400
N-(1,3-benzodioxol-4-ylmethyl)-2,2-dimethylpropanamide
CID 61149994
2-(1-aminocyclohexyl)-N-(1,3-benzodioxol-4-ylmethyl)acetamide
CID 64678994
N-(1,3-benzodioxol-4-ylmethyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605263
1-amino-N-(1,3-benzodioxol-4-ylmethyl)cyclopentane-1-carboxamide
CID 61212288
(2S)-2-amino-N-(1,3-benzodioxol-4-ylmethyl)butanamide
CID 79023389

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride (CID 119298911) is 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride is Cl.NCC(=O)NCc1cccc2c1OCO2.
What is the InChIKey of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride?
The InChIKey is ZDNPONHKCIWDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3.ClH/c11-4-9(13)12-5-7-2-1-3-8-10(7)15-6-14-8;/h1-3H,4-6,11H2,(H,12,13);1H.
What are the key properties of 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride?
2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride has a molecular weight of 244.68 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,3-benzodioxol-4-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119298911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).