5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride

C19H24ClN3O2 — CID 120635957

IUPAC5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-7-8-16(20)12-17(13)18(23)21-10-9-14-5-4-6-15(11-14)19(24)22(2)3;/h4-8,11-12H,9-10,20H2,1-3H3,(H,21,23);1H
InChIKeyRTRDMVLFNVJYTE-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.67
Rot. Bonds5

About 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride

5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride (PubChem CID 120635957) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride
PubChem CID120635957
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NCCc1cccc(C(=O)N(C)C)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-13-7-8-16(20)12-17(13)18(23)21-10-9-14-5-4-6-15(11-14)19(24)22(2)3;/h4-8,11-12H,9-10,20H2,1-3H3,(H,21,23);1H
InChIKeyRTRDMVLFNVJYTE-UHFFFAOYSA-N
XLogP2.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802952
5-amino-2-methyl-N-(2-pyridin-3-ylethyl)benzamide
CID 61290785
5-amino-2-methyl-N-(5-phenylpentyl)benzamide;hydrochloride
CID 120630670
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
3-amino-N-[2-(3-methylphenyl)ethyl]benzamide
CID 62313883
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
N-[2-(4-aminophenyl)ethyl]-5-fluoro-2-methylbenzamide
CID 63048750
3-amino-N-[2-(3-chlorophenyl)ethyl]benzamide
CID 28722348
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603
5-(cyclopropylsulfamoyl)-N-[[3-(dimethylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 46401488
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
CID 119802987

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride (CID 120635957) is 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NCCc1cccc(C(=O)N(C)C)c1.Cl.
What is the InChIKey of 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride?
The InChIKey is RTRDMVLFNVJYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-13-7-8-16(20)12-17(13)18(23)21-10-9-14-5-4-6-15(11-14)19(24)22(2)3;/h4-8,11-12H,9-10,20H2,1-3H3,(H,21,23);1H.
What are the key properties of 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride?
5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120635957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).