3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide

C18H22N2O — CID 28713346

IUPAC3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C18H22N2O/c1-2-20(14-16-7-4-3-5-8-16)18(21)12-11-15-9-6-10-17(19)13-15/h3-10,13H,2,11-12,14,19H2,1H3
InChIKeyTXJXJOISFYLJQH-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds6

About 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide

3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide (PubChem CID 28713346) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
PubChem CID28713346
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide
SMILESCCN(Cc1ccccc1)C(=O)CCc1cccc(N)c1
InChIInChI=1S/C18H22N2O/c1-2-20(14-16-7-4-3-5-8-16)18(21)12-11-15-9-6-10-17(19)13-15/h3-10,13H,2,11-12,14,19H2,1H3
InChIKeyTXJXJOISFYLJQH-UHFFFAOYSA-N
XLogP3.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 79385637
N-[(3-aminophenyl)methyl]-N-ethyl-3-methoxypropanamide
CID 62588734
N-[(3-aminophenyl)methyl]-N-ethylhexanamide
CID 43383879
N-[(3-aminophenyl)methyl]-N-ethyl-2-phenylsulfanylacetamide
CID 78984518
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
[2-(diethylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80701327
3-(3-aminophenyl)-N-ethyl-N-propan-2-ylpropanamide
CID 43309224
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-3-phenylpropanamide
CID 78808087
N,N'-dibenzyl-N,N'-diethylpropanediamide
CID 2392254
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide?
The IUPAC name of 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide (CID 28713346) is 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide is CCN(Cc1ccccc1)C(=O)CCc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide?
The InChIKey is TXJXJOISFYLJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-2-20(14-16-7-4-3-5-8-16)18(21)12-11-15-9-6-10-17(19)13-15/h3-10,13H,2,11-12,14,19H2,1H3.
What are the key properties of 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide?
3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-benzyl-N-ethylpropanamide is sourced from PubChem (CID 28713346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).