5-amino-2-(2-ethylanilino)-N-propylbenzamide

C18H23N3O — CID 100643869

IUPAC5-amino-2-(2-ethylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccccc1CC
InChIInChI=1S/C18H23N3O/c1-3-11-20-18(22)15-12-14(19)9-10-17(15)21-16-8-6-5-7-13(16)4-2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22)
InChIKeyWZCHRDYBAGYIHD-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.71
Rot. Bonds6

About 5-amino-2-(2-ethylanilino)-N-propylbenzamide

5-amino-2-(2-ethylanilino)-N-propylbenzamide (PubChem CID 100643869) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-amino-2-(2-ethylanilino)-N-propylbenzamide.

Molecular Properties

Compound Name5-amino-2-(2-ethylanilino)-N-propylbenzamide
PubChem CID100643869
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name5-amino-2-(2-ethylanilino)-N-propylbenzamide
SMILESCCCNC(=O)c1cc(N)ccc1Nc1ccccc1CC
InChIInChI=1S/C18H23N3O/c1-3-11-20-18(22)15-12-14(19)9-10-17(15)21-16-8-6-5-7-13(16)4-2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22)
InChIKeyWZCHRDYBAGYIHD-UHFFFAOYSA-N
XLogP3.71
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-(2-ethylanilino)-N-propylbenzamide 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

5-amino-2-(2-fluoroanilino)-N-propylbenzamide
CID 100644644
5-amino-2-(2-ethylanilino)benzamide
CID 61306914
5-amino-2-(2-phenylsulfanylanilino)-N-propylbenzamide
CID 100654405
5-amino-2-(4-methylanilino)-N-propylbenzamide
CID 100642805
5-amino-2-(4-chloroanilino)-N-propylbenzamide
CID 100645514
5-amino-2-(3,4-dimethylanilino)-N-propylbenzamide
CID 100643509
5-amino-N-propyl-2-[3-(trifluoromethyl)anilino]benzamide
CID 100648066
5-amino-2-[[(2R)-butan-2-yl]amino]-N-propylbenzamide
CID 100639001
5-amino-2-hydroxy-N-propylbenzamide
CID 19822912
2-hydrazinyl-N-propylbenzamide
CID 62238054
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538
5-amino-2-[2-(3,4-dimethoxyphenyl)ethylamino]-N-propylbenzamide
CID 100641388

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-ethylanilino)-N-propylbenzamide?
The IUPAC name of 5-amino-2-(2-ethylanilino)-N-propylbenzamide (CID 100643869) is 5-amino-2-(2-ethylanilino)-N-propylbenzamide.
What is the SMILES notation for 5-amino-2-(2-ethylanilino)-N-propylbenzamide?
The canonical SMILES for 5-amino-2-(2-ethylanilino)-N-propylbenzamide is CCCNC(=O)c1cc(N)ccc1Nc1ccccc1CC.
What is the InChIKey of 5-amino-2-(2-ethylanilino)-N-propylbenzamide?
The InChIKey is WZCHRDYBAGYIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-3-11-20-18(22)15-12-14(19)9-10-17(15)21-16-8-6-5-7-13(16)4-2/h5-10,12,21H,3-4,11,19H2,1-2H3,(H,20,22).
What are the key properties of 5-amino-2-(2-ethylanilino)-N-propylbenzamide?
5-amino-2-(2-ethylanilino)-N-propylbenzamide has a molecular weight of 297.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-ethylanilino)-N-propylbenzamide is sourced from PubChem (CID 100643869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).