4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride

C20H26ClN3O2 — CID 120608128

IUPAC4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-9-12-17(13-10-16)22-19(24)14-11-15-7-5-6-8-18(15)21;/h5-10,12-13H,3-4,11,14,21H2,1-2H3,(H,22,24);1H
InChIKeyTZGXREBELDDZBL-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.74
Rot. Bonds7

About 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride

4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride (PubChem CID 120608128) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
PubChem CID120608128
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride
SMILESCCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2N)cc1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-9-12-17(13-10-16)22-19(24)14-11-15-7-5-6-8-18(15)21;/h5-10,12-13H,3-4,11,14,21H2,1-2H3,(H,22,24);1H
InChIKeyTZGXREBELDDZBL-UHFFFAOYSA-N
XLogP3.74
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.74
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-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 28713936
N,N'-bis[4-(diethylcarbamoyl)phenyl]decanediamide
CID 17196837
4-[(2-aminoacetyl)amino]-N,N-diethylbenzamide;hydrochloride
CID 119268389
3-(2-aminophenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 107272723
4-[3-(2-aminophenyl)propanoylamino]-N,N,2-trimethylbenzamide;hydrochloride
CID 120611177
ethyl 2-[[4-[3-(2-aminophenyl)propanoylamino]benzoyl]amino]propanoate;hydrochloride
CID 120611424
3-(2-aminophenyl)-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide;hydrochloride
CID 120608573
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
4-[3-(2-aminophenyl)propanoylamino]-N-cyclopropylbenzamide;hydrochloride
CID 120608448
3-(2-aminophenyl)-N-[4-(butylsulfonylamino)phenyl]propanamide;hydrochloride
CID 120611222
N-[3-[3-(2-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795540
3-(2-aminophenyl)-N-(3,5-dimethylphenyl)propanamide
CID 28713886

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride?
The IUPAC name of 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride (CID 120608128) is 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride.
What is the SMILES notation for 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride?
The canonical SMILES for 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride is CCN(CC)C(=O)c1ccc(NC(=O)CCc2ccccc2N)cc1.Cl.
What is the InChIKey of 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride?
The InChIKey is TZGXREBELDDZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-3-23(4-2)20(25)16-9-12-17(13-10-16)22-19(24)14-11-15-7-5-6-8-18(15)21;/h5-10,12-13H,3-4,11,14,21H2,1-2H3,(H,22,24);1H.
What are the key properties of 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride?
4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminophenyl)propanoylamino]-N,N-diethylbenzamide;hydrochloride is sourced from PubChem (CID 120608128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).