5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride

C18H25Cl2N3O — CID 120645559

IUPAC5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CCN(C)C)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-14-9-10-15(19)13-17(14)18(22)21(12-11-20(2)3)16-7-5-4-6-8-16;;/h4-10,13H,11-12,19H2,1-3H3;2*1H
InChIKeyHZTGQVWDTWORJA-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.63
Rot. Bonds5

About 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride

5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride (PubChem CID 120645559) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
PubChem CID120645559
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CCN(C)C)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H23N3O.2ClH/c1-14-9-10-15(19)13-17(14)18(22)21(12-11-20(2)3)16-7-5-4-6-8-16;;/h4-10,13H,11-12,19H2,1-3H3;2*1H
InChIKeyHZTGQVWDTWORJA-UHFFFAOYSA-N
XLogP3.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.63
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

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5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
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N-(4-aminophenyl)-5-fluoro-2-methyl-N-propylbenzamide
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CID 63229820
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride?
The IUPAC name of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride (CID 120645559) is 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)N(CCN(C)C)c1ccccc1.Cl.Cl.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride?
The InChIKey is HZTGQVWDTWORJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O.2ClH/c1-14-9-10-15(19)13-17(14)18(22)21(12-11-20(2)3)16-7-5-4-6-8-16;;/h4-10,13H,11-12,19H2,1-3H3;2*1H.
What are the key properties of 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride?
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride has a molecular weight of 370.32 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-phenylbenzamide;dihydrochloride is sourced from PubChem (CID 120645559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).