3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride

C19H24ClN3O2 — CID 119802952

IUPAC3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(CCNC(=O)Cc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-22(2)19(24)16-5-3-4-14(12-16)10-11-21-18(23)13-15-6-8-17(20)9-7-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,23);1H
InChIKeyHNRHWRKBUJMTNX-UHFFFAOYSA-N
MW361.87 g/mol
LogP2.29
Rot. Bonds6

About 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride

3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride (PubChem CID 119802952) has the molecular formula C19H24ClN3O2 and a molecular weight of 361.87 g/mol. Its IUPAC name is 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride.

Molecular Properties

Compound Name3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
PubChem CID119802952
Molecular FormulaC19H24ClN3O2
Molecular Weight361.87 g/mol
Exact Mass361.16
IUPAC Name3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride
SMILESCN(C)C(=O)c1cccc(CCNC(=O)Cc2ccc(N)cc2)c1.Cl
InChIInChI=1S/C19H23N3O2.ClH/c1-22(2)19(24)16-5-3-4-14(12-16)10-11-21-18(23)13-15-6-8-17(20)9-7-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,23);1H
InChIKeyHNRHWRKBUJMTNX-UHFFFAOYSA-N
XLogP2.29
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.87
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-[2-[3-(dimethylcarbamoyl)phenyl]ethyl]-2-methylbenzamide;hydrochloride
CID 120635957
3-[2-(4-aminopentanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 120563368
3-[2-(7-aminoheptanoylamino)ethyl]-N,N-dimethylbenzamide;hydrochloride
CID 119802950
3-[2-[[2-(2-methoxyethylamino)acetyl]amino]ethyl]-N,N-dimethylbenzamide
CID 119802987
3-[2-[(2-hydroxy-2-phenylacetyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111540238
3-[2-[[(2E,4E)-hexa-2,4-dienoyl]amino]ethyl]-N,N-dimethylbenzamide
CID 75407728
3-[2-[[N-ethyl-N'-[3-oxo-3-(propylamino)propyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111669799
3-[2-[[N-ethyl-N'-[2-oxo-2-(propylamino)ethyl]carbamimidoyl]amino]ethyl]-N,N-dimethylbenzamide;hydroiodide
CID 111667897
3-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]-N,N-dimethylbenzamide
CID 111668254
N,N-dimethyl-3-[2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]ethyl]benzamide
CID 111771916
N,N-dimethyl-3-[2-[[N'-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111668924
3-[2-[3-(2-aminophenyl)propanoylamino]ethyl]-N-methylbenzamide;hydrochloride
CID 120611139

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride?
The IUPAC name of 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride (CID 119802952) is 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride.
What is the SMILES notation for 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride?
The canonical SMILES for 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride is CN(C)C(=O)c1cccc(CCNC(=O)Cc2ccc(N)cc2)c1.Cl.
What is the InChIKey of 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride?
The InChIKey is HNRHWRKBUJMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2.ClH/c1-22(2)19(24)16-5-3-4-14(12-16)10-11-21-18(23)13-15-6-8-17(20)9-7-15;/h3-9,12H,10-11,13,20H2,1-2H3,(H,21,23);1H.
What are the key properties of 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride?
3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride has a molecular weight of 361.87 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[2-(4-aminophenyl)acetyl]amino]ethyl]-N,N-dimethylbenzamide;hydrochloride is sourced from PubChem (CID 119802952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).