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

C14H23N3O — CID 55258212

IUPAC3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
SMILESCN(C)CCN(C)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)10-11-17(3)14(18)9-6-12-4-7-13(15)8-5-12/h4-5,7-8H,6,9-11,15H2,1-3H3
InChIKeyFIYRJHFZXCKABH-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.22
Rot. Bonds6

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

3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide (PubChem CID 55258212) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
PubChem CID55258212
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide
SMILESCN(C)CCN(C)C(=O)CCc1ccc(N)cc1
InChIInChI=1S/C14H23N3O/c1-16(2)10-11-17(3)14(18)9-6-12-4-7-13(15)8-5-12/h4-5,7-8H,6,9-11,15H2,1-3H3
InChIKeyFIYRJHFZXCKABH-UHFFFAOYSA-N
XLogP1.22
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
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

2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
4-[3-(4-aminophenyl)propanoyl-methylamino]butanoic acid
CID 115341281
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]propanamide
CID 28712797
3-(4-aminophenyl)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61114933
3-(4-aminophenyl)-N-methyl-N-(thiophen-3-ylmethyl)propanamide
CID 54905173
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
3-(4-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61115612
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylbutanamide
CID 104502632
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61037277
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
3-(4-aminophenoxy)-N-[3-(dimethylamino)propyl]-N-methylpropanamide
CID 63694079
2-(4-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 28711694

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide (CID 55258212) is 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide is CN(C)CCN(C)C(=O)CCc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
The InChIKey is FIYRJHFZXCKABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-16(2)10-11-17(3)14(18)9-6-12-4-7-13(15)8-5-12/h4-5,7-8H,6,9-11,15H2,1-3H3.
What are the key properties of 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide?
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide has a molecular weight of 249.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylpropanamide is sourced from PubChem (CID 55258212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).