2-amino-N-methyl-N-(oxan-4-yl)benzamide

C13H18N2O2 — CID 43610601

IUPAC2-amino-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccccc1N)C1CCOCC1
InChIInChI=1S/C13H18N2O2/c1-15(10-6-8-17-9-7-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
InChIKeyHSWXNLHSHJIPTH-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.52
Rot. Bonds2

About 2-amino-N-methyl-N-(oxan-4-yl)benzamide

2-amino-N-methyl-N-(oxan-4-yl)benzamide (PubChem CID 43610601) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-amino-N-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-(oxan-4-yl)benzamide
PubChem CID43610601
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-amino-N-methyl-N-(oxan-4-yl)benzamide
SMILESCN(C(=O)c1ccccc1N)C1CCOCC1
InChIInChI=1S/C13H18N2O2/c1-15(10-6-8-17-9-7-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3
InChIKeyHSWXNLHSHJIPTH-UHFFFAOYSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.52
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-(oxolan-3-yl)benzamide;hydrochloride
CID 119945295
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
3-amino-2-hydroxy-N-methyl-N-(oxan-4-yl)benzamide
CID 113386399
2,4-diamino-N-methyl-N-(oxan-4-yl)benzamide
CID 61102317
3-amino-N-methyl-N-(oxan-4-yl)pyridine-2-carboxamide
CID 70099626
2-bromo-N-methyl-N-(oxolan-3-yl)benzamide
CID 78954018
N-methyl-2-[2-(methylamino)ethyl]-N-(oxan-4-yl)benzamide
CID 104547501
5-amino-2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 62814554
2-amino-N-methyl-N-(1-phenylpiperidin-3-yl)benzamide
CID 119947279
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
(2-aminophenyl)-(oxan-4-yl)methanone
CID 64834175
3-amino-N-cyclohexyl-2-hydroxy-N-methylbenzamide
CID 58736495

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 2-amino-N-methyl-N-(oxan-4-yl)benzamide (CID 43610601) is 2-amino-N-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 2-amino-N-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 2-amino-N-methyl-N-(oxan-4-yl)benzamide is CN(C(=O)c1ccccc1N)C1CCOCC1.
What is the InChIKey of 2-amino-N-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is HSWXNLHSHJIPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(10-6-8-17-9-7-10)13(16)11-4-2-3-5-12(11)14/h2-5,10H,6-9,14H2,1H3.
What are the key properties of 2-amino-N-methyl-N-(oxan-4-yl)benzamide?
2-amino-N-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 234.30 g/mol, XLogP of 1.52, 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-(oxan-4-yl)benzamide is sourced from PubChem (CID 43610601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).