N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

C16H22ClN3O4 — CID 119619025

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)CN1CCCCCCC1=O)OCO2
InChIInChI=1S/C16H21N3O4.ClH/c17-11-7-13-14(23-10-22-13)8-12(11)18-15(20)9-19-6-4-2-1-3-5-16(19)21;/h7-8H,1-6,9-10,17H2,(H,18,20);1H
InChIKeyJLUVKONBVFCYEG-UHFFFAOYSA-N
MW355.82 g/mol
LogP2.15
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (PubChem CID 119619025) has the molecular formula C16H22ClN3O4 and a molecular weight of 355.82 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
PubChem CID119619025
Molecular FormulaC16H22ClN3O4
Molecular Weight355.82 g/mol
Exact Mass355.13
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)CN1CCCCCCC1=O)OCO2
InChIInChI=1S/C16H21N3O4.ClH/c17-11-7-13-14(23-10-22-13)8-12(11)18-15(20)9-19-6-4-2-1-3-5-16(19)21;/h7-8H,1-6,9-10,17H2,(H,18,20);1H
InChIKeyJLUVKONBVFCYEG-UHFFFAOYSA-N
XLogP2.15
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 119618986
N-(6-amino-1,3-benzodioxol-5-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide;hydrochloride
CID 119618728
N-(2-amino-5-chlorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 16794654
N-(6-amino-1,3-benzodioxol-5-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide;hydrochloride
CID 119618575
N-(4-amino-2-bromophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 43376282
2-(2-oxoazepan-1-yl)-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 30583518
N-(6-amino-1,3-benzodioxol-5-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119619009
N-(6-amino-1,3-benzodioxol-5-yl)-2-methoxyacetamide;hydrochloride
CID 119618394
N-(4-amino-2,6-dichlorophenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 29294980
N-(6-amino-1,3-benzodioxol-5-yl)-2-propylsulfanylacetamide
CID 119618391
N-(2-morpholin-4-ylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 17497069
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(2-oxoazepan-1-yl)acetate
CID 7727955

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride (CID 119619025) is N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is Cl.Nc1cc2c(cc1NC(=O)CN1CCCCCCC1=O)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
The InChIKey is JLUVKONBVFCYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4.ClH/c17-11-7-13-14(23-10-22-13)8-12(11)18-15(20)9-19-6-4-2-1-3-5-16(19)21;/h7-8H,1-6,9-10,17H2,(H,18,20);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride has a molecular weight of 355.82 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-(2-oxoazocan-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119619025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).