2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride

C14H21ClN2O2 — CID 119945322

IUPAC2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
SMILESCN(CC1CCCOC1)C(=O)c1ccccc1N.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16(9-11-5-4-8-18-10-11)14(17)12-6-2-3-7-13(12)15;/h2-3,6-7,11H,4-5,8-10,15H2,1H3;1H
InChIKeyQXPMYWIIEVTSPO-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride

2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride (PubChem CID 119945322) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
PubChem CID119945322
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
SMILESCN(CC1CCCOC1)C(=O)c1ccccc1N.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16(9-11-5-4-8-18-10-11)14(17)12-6-2-3-7-13(12)15;/h2-3,6-7,11H,4-5,8-10,15H2,1H3;1H
InChIKeyQXPMYWIIEVTSPO-UHFFFAOYSA-N
XLogP2.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.19
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-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
CID 119946678
2-amino-N-methyl-3-nitro-N-(oxan-3-ylmethyl)benzamide
CID 115679005
3-amino-4-bromo-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63727084
4-amino-N,6-dimethyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 81241215
3,5-diamino-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 55225636
2-amino-3-fluoro-N-methyl-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 105386353
2-bromo-4-chloro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 113257549
5-chloro-2-fluoro-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 63713162
4-acetyl-N-methyl-N-(oxan-3-ylmethyl)benzamide
CID 75370788
2-amino-N-methyl-N-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
5-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-2-carboxamide
CID 81315949
6-amino-N-methyl-N-(oxan-3-ylmethyl)pyridine-3-carboxamide
CID 63706952

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride (CID 119945322) is 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride is CN(CC1CCCOC1)C(=O)c1ccccc1N.Cl.
What is the InChIKey of 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride?
The InChIKey is QXPMYWIIEVTSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-16(9-11-5-4-8-18-10-11)14(17)12-6-2-3-7-13(12)15;/h2-3,6-7,11H,4-5,8-10,15H2,1H3;1H.
What are the key properties of 2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride?
2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.19, 3 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-(oxan-3-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119945322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).