2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride

C20H27Cl2N3O2 — CID 119946754

IUPAC2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)c2ccccc2N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-15-6-8-16(9-7-15)19(23-10-12-25-13-11-23)14-22-20(24)17-4-2-3-5-18(17)21;;/h2-9,19H,10-14,21H2,1H3,(H,22,24);2*1H
InChIKeyGGEWXACJCUBVRA-UHFFFAOYSA-N
MW412.36 g/mol
LogP3.22
Rot. Bonds5

About 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride

2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride (PubChem CID 119946754) has the molecular formula C20H27Cl2N3O2 and a molecular weight of 412.36 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
PubChem CID119946754
Molecular FormulaC20H27Cl2N3O2
Molecular Weight412.36 g/mol
Exact Mass411.15
IUPAC Name2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
SMILESCc1ccc(C(CNC(=O)c2ccccc2N)N2CCOCC2)cc1.Cl.Cl
InChIInChI=1S/C20H25N3O2.2ClH/c1-15-6-8-16(9-7-15)19(23-10-12-25-13-11-23)14-22-20(24)17-4-2-3-5-18(17)21;;/h2-9,19H,10-14,21H2,1H3,(H,22,24);2*1H
InChIKeyGGEWXACJCUBVRA-UHFFFAOYSA-N
XLogP3.22
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.36
LogP ≤ 53.22
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-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide;dihydrochloride
CID 119946956
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540
2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949534
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 119859927
N-[2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-2-chlorobenzamide;hydrochloride
CID 52984776
1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
CID 92625940
4-chloro-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 16804391
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylsulfanylbenzamide
CID 2460009
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]butanamide;hydrochloride
CID 52984360

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride (CID 119946754) is 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride is Cc1ccc(C(CNC(=O)c2ccccc2N)N2CCOCC2)cc1.Cl.Cl.
What is the InChIKey of 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride?
The InChIKey is GGEWXACJCUBVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.2ClH/c1-15-6-8-16(9-7-15)19(23-10-12-25-13-11-23)14-22-20(24)17-4-2-3-5-18(17)21;;/h2-9,19H,10-14,21H2,1H3,(H,22,24);2*1H.
What are the key properties of 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride?
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride has a molecular weight of 412.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).