2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride

C15H25Cl2N3O2 — CID 119947204

IUPAC2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)c2ccccc2N)CCOCC1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-18(2)15(7-9-20-10-8-15)11-17-14(19)12-5-3-4-6-13(12)16;;/h3-6H,7-11,16H2,1-2H3,(H,17,19);2*1H
InChIKeyHIIYTUIKHMXZSX-UHFFFAOYSA-N
MW350.29 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride

2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride (PubChem CID 119947204) has the molecular formula C15H25Cl2N3O2 and a molecular weight of 350.29 g/mol. Its IUPAC name is 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
PubChem CID119947204
Molecular FormulaC15H25Cl2N3O2
Molecular Weight350.29 g/mol
Exact Mass349.13
IUPAC Name2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
SMILESCN(C)C1(CNC(=O)c2ccccc2N)CCOCC1.Cl.Cl
InChIInChI=1S/C15H23N3O2.2ClH/c1-18(2)15(7-9-20-10-8-15)11-17-14(19)12-5-3-4-6-13(12)16;;/h3-6H,7-11,16H2,1-2H3,(H,17,19);2*1H
InChIKeyHIIYTUIKHMXZSX-UHFFFAOYSA-N
XLogP1.95
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 51.95
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

2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119945234
2-amino-N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]benzamide
CID 61210410
2-amino-N-[(1-methylcyclobutyl)methyl]benzamide;hydrochloride
CID 119945728
2-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide
CID 119944971
2-amino-N-[(1-ethylcyclobutyl)methyl]benzamide
CID 103822063
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 111520491
N-[[1-(dimethylamino)cyclobutyl]methyl]-2-(methylamino)benzamide
CID 105419225
2-hydroxy-N-[(4-methyloxan-4-yl)methyl]benzamide
CID 103742541
N-[[4-(dimethylamino)oxan-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 56790222
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-2,4-dimethylbenzamide
CID 102705855
4-(2-chlorobenzoyl)-N-[[4-(dimethylamino)oxan-4-yl]methyl]-1,4-diazepane-1-carboxamide
CID 86949607
2-amino-N-[(2-methylthiolan-2-yl)methyl]benzamide
CID 80725565

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride (CID 119947204) is 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride is CN(C)C1(CNC(=O)c2ccccc2N)CCOCC1.Cl.Cl.
What is the InChIKey of 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride?
The InChIKey is HIIYTUIKHMXZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.2ClH/c1-18(2)15(7-9-20-10-8-15)11-17-14(19)12-5-3-4-6-13(12)16;;/h3-6H,7-11,16H2,1-2H3,(H,17,19);2*1H.
What are the key properties of 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride?
2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride has a molecular weight of 350.29 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119947204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).