N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride

C21H29Cl2N3O2 — CID 120568831

IUPACN-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-14-4-9-19(22)10-20(14)23-21(25)18-7-5-17(6-8-18)13-24-11-15(2)26-16(3)12-24;;/h4-10,15-16H,11-13,22H2,1-3H3,(H,23,25);2*1H
InChIKeyQQQRWKYQZDYUJH-UHFFFAOYSA-N
MW426.39 g/mol
LogP4.28
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride

N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride (PubChem CID 120568831) has the molecular formula C21H29Cl2N3O2 and a molecular weight of 426.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
PubChem CID120568831
Molecular FormulaC21H29Cl2N3O2
Molecular Weight426.39 g/mol
Exact Mass425.16
IUPAC NameN-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1.Cl.Cl
InChIInChI=1S/C21H27N3O2.2ClH/c1-14-4-9-19(22)10-20(14)23-21(25)18-7-5-17(6-8-18)13-24-11-15(2)26-16(3)12-24;;/h4-10,15-16H,11-13,22H2,1-3H3,(H,23,25);2*1H
InChIKeyQQQRWKYQZDYUJH-UHFFFAOYSA-N
XLogP4.28
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.39
LogP ≤ 54.28
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-(6-amino-1,3-benzodioxol-5-yl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride
CID 119618458
5-amino-N-[[4-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylbenzamide
CID 120641589
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]benzamide
CID 36666249
N-(2,5-dibromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55625307
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 55635677
4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]benzamide
CID 46404460
N-[4-(cyclopropylcarbamoyl)phenyl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 46404639
N-(6-amino-3-pyridinyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 119515670
3-amino-N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119852915
N-(3-bromophenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623885
N-[5-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 55801175
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride (CID 120568831) is N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride is Cc1ccc(N)cc1NC(=O)c1ccc(CN2CC(C)OC(C)C2)cc1.Cl.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
The InChIKey is QQQRWKYQZDYUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2.2ClH/c1-14-4-9-19(22)10-20(14)23-21(25)18-7-5-17(6-8-18)13-24-11-15(2)26-16(3)12-24;;/h4-10,15-16H,11-13,22H2,1-3H3,(H,23,25);2*1H.
What are the key properties of N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride?
N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride has a molecular weight of 426.39 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 120568831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).