3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide

C13H21N3O — CID 28712797

IUPAC3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-16(2)10-9-15-13(17)8-5-11-3-6-12(14)7-4-11/h3-4,6-7H,5,8-10,14H2,1-2H3,(H,15,17)
InChIKeyCKBKXAFXPQVERN-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.88
Rot. Bonds6

About 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 28712797) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID28712797
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCc1ccc(N)cc1
InChIInChI=1S/C13H21N3O/c1-16(2)10-9-15-13(17)8-5-11-3-6-12(14)7-4-11/h3-4,6-7H,5,8-10,14H2,1-2H3,(H,15,17)
InChIKeyCKBKXAFXPQVERN-UHFFFAOYSA-N
XLogP0.88
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.88
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

N-[2-(dimethylamino)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 11960750
4-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]-N,N-dimethylbenzamide
CID 110299989
3-[3-(4-aminophenyl)propanoylamino]propanoic acid
CID 113290550
N-(3-amino-3-oxopropyl)-3-(4-aminophenyl)propanamide
CID 43553907
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[3-(dimethylamino)propyl]-3-(4-methylphenyl)propanamide
CID 110755343
N-[2-(dimethylamino)ethyl]-3-(4-hydroxy-3-methoxyphenyl)propanamide
CID 11960435
N-(4-aminobutyl)-3-(4-aminophenyl)propanamide
CID 115341376
3-[4-(dimethylamino)phenyl]-N-[3-(dimethylamino)propyl]propanamide
CID 110464585
N-[3-(dimethylamino)propyl]-3-(4-fluorophenyl)propanamide
CID 94913793
3-(4-aminophenyl)-N-(3,3,3-trifluoropropyl)propanamide
CID 63228293
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
CID 55258212

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide (CID 28712797) is 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is CKBKXAFXPQVERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-16(2)10-9-15-13(17)8-5-11-3-6-12(14)7-4-11/h3-4,6-7H,5,8-10,14H2,1-2H3,(H,15,17).
What are the key properties of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide?
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 235.33 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 28712797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).