3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride

C20H27Cl2N3O2 — CID 119852915

IUPAC3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2NC(=O)c2cccc(N)c2)CC(C)O1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16;;/h3-10,14-15H,11-13,21H2,1-2H3,(H,22,24);2*1H
InChIKeyWFEVBWLYORTFCP-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.97
Rot. Bonds4

About 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride

3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride (PubChem CID 119852915) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
PubChem CID119852915
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2NC(=O)c2cccc(N)c2)CC(C)O1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16;;/h3-10,14-15H,11-13,21H2,1-2H3,(H,22,24);2*1H
InChIKeyWFEVBWLYORTFCP-UHFFFAOYSA-N
XLogP3.97
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.97
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-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-3-iodobenzamide
CID 55801490
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-ethoxybenzamide
CID 55801462
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55801175
1-[(2-chlorophenyl)methyl]-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]pyrazole-4-carboxamide
CID 55801204
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-(3-fluorophenyl)acetamide
CID 55801360
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 120568831
4-bromo-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2,5-dimethylfuran-3-carboxamide
CID 78890905
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzamide
CID 55801206
(2S,4S)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-2-methylpiperidine-4-carboxamide;dihydrochloride
CID 120642921
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-ethylphenyl)benzamide
CID 8839491
2-(aminomethyl)-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide
CID 119852920
N-[[4-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55801201

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride (CID 119852915) is 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride is CC1CN(Cc2ccccc2NC(=O)c2cccc(N)c2)CC(C)O1.Cl.Cl.
What is the InChIKey of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride?
The InChIKey is WFEVBWLYORTFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-14-11-23(12-15(2)25-14)13-17-6-3-4-9-19(17)22-20(24)16-7-5-8-18(21)10-16;;/h3-10,14-15H,11-13,21H2,1-2H3,(H,22,24);2*1H.
What are the key properties of 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride?
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride is sourced from PubChem (CID 119852915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).