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

C18H21N3O2 — CID 54795372

IUPAC3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-2-17(22)20-15-4-3-5-16(12-15)21-18(23)11-8-13-6-9-14(19)10-7-13/h3-7,9-10,12H,2,8,11,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNALYBOTAVEBML-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.19
Rot. Bonds6

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

3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide (PubChem CID 54795372) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
PubChem CID54795372
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(=O)CCc2ccc(N)cc2)c1
InChIInChI=1S/C18H21N3O2/c1-2-17(22)20-15-4-3-5-16(12-15)21-18(23)11-8-13-6-9-14(19)10-7-13/h3-7,9-10,12H,2,8,11,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyLNALYBOTAVEBML-UHFFFAOYSA-N
XLogP3.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.19
H-Bond Donors ≤ 53
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-(dimethylamino)phenyl]propanamide
CID 115375741
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
3-(4-aminophenyl)-N-(3-propoxyphenyl)propanamide
CID 54795378
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]-3-phenylpropanamide
CID 54795568
3-[3-(4-aminophenyl)propanoylamino]-N-butylbenzamide
CID 54795409
N-[3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]phenyl]-3-phenylpropanamide
CID 54837505
N,N'-bis[3-(propanoylamino)phenyl]nonanediamide
CID 17188809
N-[3-[3-(3-aminophenyl)propanoylamino]phenyl]hexanamide
CID 54795554
3-(4-aminophenyl)-N-[3-(2-phenylethoxy)phenyl]propanamide
CID 54795311
3-(4-aminophenyl)-N-[3-(3-methylbutoxy)phenyl]propanamide
CID 54795379

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide (CID 54795372) is 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide is CCC(=O)Nc1cccc(NC(=O)CCc2ccc(N)cc2)c1.
What is the InChIKey of 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide?
The InChIKey is LNALYBOTAVEBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-17(22)20-15-4-3-5-16(12-15)21-18(23)11-8-13-6-9-14(19)10-7-13/h3-7,9-10,12H,2,8,11,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide?
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide has a molecular weight of 311.39 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 54795372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).