4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide

C21H27N3O3 — CID 54811099

IUPAC4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)21(26)16-7-9-18(10-8-16)23-20(25)15-22-17-11-13-19(14-12-17)27-6-3/h7-14,22H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyVIHPJIHPMWRCSE-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.62
Rot. Bonds9

About 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide

4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide (PubChem CID 54811099) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
PubChem CID54811099
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1
InChIInChI=1S/C21H27N3O3/c1-4-24(5-2)21(26)16-7-9-18(10-8-16)23-20(25)15-22-17-11-13-19(14-12-17)27-6-3/h7-14,22H,4-6,15H2,1-3H3,(H,23,25)
InChIKeyVIHPJIHPMWRCSE-UHFFFAOYSA-N
XLogP3.62
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide 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,N-diethyl-4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]benzamide
CID 54834104
4-[[2-(4-ethoxyanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840736
N,N-diethyl-4-[[2-(4-phenylmethoxyanilino)acetyl]amino]benzamide
CID 37221073
1-N-(4-ethoxyphenyl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 109048413
4-[[2-(4-bromoanilino)-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54834198
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
4-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-methylbenzamide
CID 54846187
N,N-diethyl-4-[[2-(4-methylphenoxy)acetyl]amino]benzamide
CID 7817272
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide (CID 54811099) is 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide is CCOc1ccc(NCC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)cc1.
What is the InChIKey of 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
The InChIKey is VIHPJIHPMWRCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-24(5-2)21(26)16-7-9-18(10-8-16)23-20(25)15-22-17-11-13-19(14-12-17)27-6-3/h7-14,22H,4-6,15H2,1-3H3,(H,23,25).
What are the key properties of 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide?
4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-ethoxyanilino)acetyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54811099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).