2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride

C12H17ClN2O2 — CID 119945295

IUPAC2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1N)C1CCOC1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-14(9-6-7-16-8-9)12(15)10-4-2-3-5-11(10)13;/h2-5,9H,6-8,13H2,1H3;1H
InChIKeyOZCFBRWVSSKWRG-UHFFFAOYSA-N
MW256.73 g/mol
LogP1.55
Rot. Bonds2

About 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride

2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride (PubChem CID 119945295) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
PubChem CID119945295
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
SMILESCN(C(=O)c1ccccc1N)C1CCOC1.Cl
InChIInChI=1S/C12H16N2O2.ClH/c1-14(9-6-7-16-8-9)12(15)10-4-2-3-5-11(10)13;/h2-5,9H,6-8,13H2,1H3;1H
InChIKeyOZCFBRWVSSKWRG-UHFFFAOYSA-N
XLogP1.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(oxan-4-yl)benzamide
CID 43610601
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
4-amino-N,2-dimethyl-N-(oxolan-3-yl)benzamide
CID 82740644
2-bromo-3-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737720
4-amino-3-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 82737848
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-(3-hydroxyprop-1-ynyl)-N-methyl-N-(oxolan-3-yl)benzamide
CID 82749573
1-(2-aminophenyl)-N-methyl-N-(oxolan-3-yl)pyrazole-3-carboxamide
CID 82733530

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride (CID 119945295) is 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride is CN(C(=O)c1ccccc1N)C1CCOC1.Cl.
What is the InChIKey of 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride?
The InChIKey is OZCFBRWVSSKWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2.ClH/c1-14(9-6-7-16-8-9)12(15)10-4-2-3-5-11(10)13;/h2-5,9H,6-8,13H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride?
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride has a molecular weight of 256.73 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 119945295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).