3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide

C17H21N3O — CID 115375741

IUPAC3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C17H21N3O/c1-20(2)16-5-3-4-15(12-16)19-17(21)11-8-13-6-9-14(18)10-7-13/h3-7,9-10,12H,8,11,18H2,1-2H3,(H,19,21)
InChIKeyWMDKZOKTQCFOCB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.91
Rot. Bonds5

About 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide

3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide (PubChem CID 115375741) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
PubChem CID115375741
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide
SMILESCN(C)c1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C17H21N3O/c1-20(2)16-5-3-4-15(12-16)19-17(21)11-8-13-6-9-14(18)10-7-13/h3-7,9-10,12H,8,11,18H2,1-2H3,(H,19,21)
InChIKeyWMDKZOKTQCFOCB-UHFFFAOYSA-N
XLogP2.91
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.91
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

3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 54795361
N-[3-[acetyl(methyl)amino]phenyl]-3-phenylpropanamide
CID 46761793
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
methyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 108797566
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
N-[3-[methyl(methylsulfonyl)amino]phenyl]-3-(4-methylphenyl)propanamide
CID 41465695
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-[4-[acetyl(methyl)amino]phenyl]-3-(4-aminophenyl)propanamide
CID 54794998
ethyl 4-[3-(dimethylamino)anilino]-4-oxobutanoate
CID 78910863
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide (CID 115375741) is 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide is CN(C)c1cccc(NC(=O)CCc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide?
The InChIKey is WMDKZOKTQCFOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-20(2)16-5-3-4-15(12-16)19-17(21)11-8-13-6-9-14(18)10-7-13/h3-7,9-10,12H,8,11,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide?
3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide has a molecular weight of 283.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[3-(dimethylamino)phenyl]propanamide is sourced from PubChem (CID 115375741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).