N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide

C15H24ClN3O — CID 43273330

IUPACN-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(Cl)cc1N)CC(C)C
InChIInChI=1S/C15H24ClN3O/c1-4-19(10-11(2)3)8-7-15(20)18-14-6-5-12(16)9-13(14)17/h5-6,9,11H,4,7-8,10,17H2,1-3H3,(H,18,20)
InChIKeyGSTSUVXTCAPVPF-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.23
Rot. Bonds7

About N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide

N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide (PubChem CID 43273330) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide.

Molecular Properties

Compound NameN-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
PubChem CID43273330
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide
SMILESCCN(CCC(=O)Nc1ccc(Cl)cc1N)CC(C)C
InChIInChI=1S/C15H24ClN3O/c1-4-19(10-11(2)3)8-7-15(20)18-14-6-5-12(16)9-13(14)17/h5-6,9,11H,4,7-8,10,17H2,1-3H3,(H,18,20)
InChIKeyGSTSUVXTCAPVPF-UHFFFAOYSA-N
XLogP3.23
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide 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

N-(2-amino-4-chlorophenyl)-3-[ethyl(methyl)amino]propanamide
CID 43263005
N-(2-amino-4-chlorophenyl)-3-[methyl(pentan-2-yl)amino]propanamide
CID 43571687
N-(2-aminophenyl)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 43273334
N-(4-chloro-2-methylphenyl)-3-(diethylamino)propanamide;hydrochloride
CID 3066358
N-(2-amino-4-chlorophenyl)-4-[methyl(2-methylbutyl)amino]butanamide
CID 43295387
N-(2-amino-4-chlorophenyl)-4-[methyl(propan-2-yl)amino]butanamide
CID 16790182
N-(2-amino-4-methylphenyl)-2-[ethyl(2-methylpropyl)amino]acetamide
CID 43376005
N-(2-amino-4-chlorophenyl)-2-(3-methylbutylsulfinyl)acetamide
CID 107753902
N-(2-amino-4-chlorophenyl)-4-[2-(dimethylamino)ethyl-methylamino]butanamide
CID 63693562
N-(2-amino-4-chlorophenyl)-3-methylsulfanylpropanamide
CID 61023723
methyl 4-(2-amino-4-chloroanilino)-4-oxobutanoate
CID 175254190
N-(4-chloro-2-iodophenyl)-4-methylpentanamide
CID 103766832

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
The IUPAC name of N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide (CID 43273330) is N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide.
What is the SMILES notation for N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
The canonical SMILES for N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide is CCN(CCC(=O)Nc1ccc(Cl)cc1N)CC(C)C.
What is the InChIKey of N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
The InChIKey is GSTSUVXTCAPVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-4-19(10-11(2)3)8-7-15(20)18-14-6-5-12(16)9-13(14)17/h5-6,9,11H,4,7-8,10,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide?
N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide has a molecular weight of 297.83 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-chlorophenyl)-3-[ethyl(2-methylpropyl)amino]propanamide is sourced from PubChem (CID 43273330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).