2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide

C16H25N3O2 — CID 106591163

IUPAC2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H25N3O2/c1-5-9-19(11-15(20)18(3)4)16(21)12(2)13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,11,17H2,1-4H3
InChIKeyJZELIFQGPWXKJG-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.70
Rot. Bonds6

About 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide

2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide (PubChem CID 106591163) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
PubChem CID106591163
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide
SMILESCCCN(CC(=O)N(C)C)C(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C16H25N3O2/c1-5-9-19(11-15(20)18(3)4)16(21)12(2)13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,11,17H2,1-4H3
InChIKeyJZELIFQGPWXKJG-UHFFFAOYSA-N
XLogP1.70
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminophenyl)-N,N-bis(2-methoxyethyl)propanamide
CID 106590951
2-(3-aminophenyl)-N-methyl-N-pentan-3-ylpropanamide
CID 106590925
2-(3-aminophenyl)-N-ethyl-N-(2-ethylbutyl)propanamide
CID 106590949
2-(3-aminophenyl)-N-methoxy-N-methylpropanamide
CID 106590965
2-(3-aminophenyl)-N-methyl-N-prop-2-enylpropanamide
CID 106591692
2-cyano-N-[2-(dimethylamino)-2-oxoethyl]-2-phenyl-N-propylacetamide
CID 62878774
2-(3-aminophenyl)-N-(cyclobutylmethyl)-N-ethylpropanamide
CID 107396898
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbutanamide
CID 79023216
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
2-(3-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 106591019
(2S)-2-amino-N-[2-(dimethylamino)-2-oxoethyl]-4-methyl-N-propylpentanamide
CID 61158178
2-(3-aminophenyl)propanoate
CID 71650577

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide (CID 106591163) is 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide is CCCN(CC(=O)N(C)C)C(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide?
The InChIKey is JZELIFQGPWXKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-5-9-19(11-15(20)18(3)4)16(21)12(2)13-7-6-8-14(17)10-13/h6-8,10,12H,5,9,11,17H2,1-4H3.
What are the key properties of 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide?
2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide has a molecular weight of 291.40 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylpropanamide is sourced from PubChem (CID 106591163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).