2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride

C15H24ClN3O2 — CID 119744178

IUPAC2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
SMILESCCCN(CC(=O)N(C)C)C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-9-18(11-15(20)17(2)3)14(19)10-12-5-7-13(16)8-6-12;/h5-8H,4,9-11,16H2,1-3H3;1H
InChIKeyKYDMKQDIDIUZRI-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.56
Rot. Bonds6

About 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride

2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride (PubChem CID 119744178) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
PubChem CID119744178
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride
SMILESCCCN(CC(=O)N(C)C)C(=O)Cc1ccc(N)cc1.Cl
InChIInChI=1S/C15H23N3O2.ClH/c1-4-9-18(11-15(20)17(2)3)14(19)10-12-5-7-13(16)8-6-12;/h5-8H,4,9-11,16H2,1-3H3;1H
InChIKeyKYDMKQDIDIUZRI-UHFFFAOYSA-N
XLogP1.56
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.56
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'}

Analyze 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride 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-(4-aminophenyl)-N-[2-oxo-2-(propylamino)ethyl]-N-propylacetamide;hydrochloride
CID 119741239
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-2-(4-sulfanylphenyl)acetamide
CID 107024826
2-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 61042597
2-(4-aminophenyl)-N-ethyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732292
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62798753
2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]-N-methylacetamide
CID 18508359
2-(4-aminophenyl)-N-[(3-methoxy-4-propoxyphenyl)methyl]-N-propylacetamide;hydrochloride
CID 119684727
N-[(4-aminophenyl)methyl]-2-methyl-N-propylpropanamide
CID 43459453
ethyl N-[(4-aminophenyl)methyl]-N-propylcarbamate
CID 43459532
N-[(4-aminophenyl)methyl]-3-methoxy-N-propylpropanamide
CID 55091685

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
The IUPAC name of 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride (CID 119744178) is 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride.
What is the SMILES notation for 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
The canonical SMILES for 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride is CCCN(CC(=O)N(C)C)C(=O)Cc1ccc(N)cc1.Cl.
What is the InChIKey of 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
The InChIKey is KYDMKQDIDIUZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c1-4-9-18(11-15(20)17(2)3)14(19)10-12-5-7-13(16)8-6-12;/h5-8H,4,9-11,16H2,1-3H3;1H.
What are the key properties of 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride?
2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide;hydrochloride is sourced from PubChem (CID 119744178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).