3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide

C19H23N3O3 — CID 45255323

IUPAC3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H23N3O3/c1-14-6-8-15(9-7-14)21-18(23)10-12-25-13-11-19(24)22-17-5-3-2-4-16(17)20/h2-9H,10-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyIMKIXEMOIFDZML-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.95
Rot. Bonds8

About 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide

3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide (PubChem CID 45255323) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
PubChem CID45255323
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCOCCC(=O)Nc2ccccc2N)cc1
InChIInChI=1S/C19H23N3O3/c1-14-6-8-15(9-7-14)21-18(23)10-12-25-13-11-19(24)22-17-5-3-2-4-16(17)20/h2-9H,10-13,20H2,1H3,(H,21,23)(H,22,24)
InChIKeyIMKIXEMOIFDZML-UHFFFAOYSA-N
XLogP2.95
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)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-aminophenyl)-4-(4-methylphenoxy)butanamide
CID 18071037
(E)-N-(2-aminophenyl)-N'-(4-methylphenyl)hept-2-enediamide
CID 70231522
3-amino-N-(4-methylphenyl)propanamide;hydrochloride
CID 15558174
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
N-(2-aminophenyl)-3-(4-methylphenyl)sulfinylpropanamide
CID 61302398
N-(2-aminophenyl)-3-[(4-chlorophenyl)methoxy]propanamide
CID 65124536
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
N-(2-aminophenyl)-8-(4-methylphenyl)-8-oxooctanamide;9-hydroxy-8-oxo-N-phenylnonanamide
CID 159516285
N'-(2-hydroxyphenyl)-N-(4-methylphenyl)heptanediamide
CID 45254124
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032
N-(2-aminophenyl)-5-methoxypentanamide
CID 119422437

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide (CID 45255323) is 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCOCCC(=O)Nc2ccccc2N)cc1.
What is the InChIKey of 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide?
The InChIKey is IMKIXEMOIFDZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-14-6-8-15(9-7-14)21-18(23)10-12-25-13-11-19(24)22-17-5-3-2-4-16(17)20/h2-9H,10-13,20H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide?
3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-aminoanilino)-3-oxopropoxy]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 45255323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).