N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

C19H21ClN2O3 — CID 119618623

IUPACN-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)CC1CCCc3ccccc31)OCO2
InChIInChI=1S/C19H20N2O3.ClH/c20-15-9-17-18(24-11-23-17)10-16(15)21-19(22)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-2,4,7,9-10,13H,3,5-6,8,11,20H2,(H,21,22);1H
InChIKeyDFOHPONYLGRBEU-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.87
Rot. Bonds3

About N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride

N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (PubChem CID 119618623) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
PubChem CID119618623
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
SMILESCl.Nc1cc2c(cc1NC(=O)CC1CCCc3ccccc31)OCO2
InChIInChI=1S/C19H20N2O3.ClH/c20-15-9-17-18(24-11-23-17)10-16(15)21-19(22)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-2,4,7,9-10,13H,3,5-6,8,11,20H2,(H,21,22);1H
InChIKeyDFOHPONYLGRBEU-UHFFFAOYSA-N
XLogP3.87
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylaminomethyl)phenyl]-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119440025
N-(6-amino-3-pyridinyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119515915
2-methyl-3-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 56783711
N-(2-aminoethyl)-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]benzamide
CID 120604447
2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-N-[2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]phenyl]acetamide
CID 97260269
N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 170899391
1-methyl-4-[[2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]amino]pyrrole-2-carboxamide
CID 95617018
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
(2S)-3-phenyl-2-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]propanoic acid
CID 119366685
N-(6-amino-1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119618457
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
4-[[2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetyl]amino]butanoic acid
CID 119170863

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride (CID 119618623) is N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is Cl.Nc1cc2c(cc1NC(=O)CC1CCCc3ccccc31)OCO2.
What is the InChIKey of N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
The InChIKey is DFOHPONYLGRBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3.ClH/c20-15-9-17-18(24-11-23-17)10-16(15)21-19(22)8-13-6-3-5-12-4-1-2-7-14(12)13;/h1-2,4,7,9-10,13H,3,5-6,8,11,20H2,(H,21,22);1H.
What are the key properties of N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride?
N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride has a molecular weight of 360.84 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,3-benzodioxol-5-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119618623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).