3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide

C20H26N2O3 — CID 109039924

IUPAC3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-24-17-11-9-16(10-12-17)21-14-13-20(23)22-18-7-5-6-8-19(18)25-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyLRPVOAJPYQAIPO-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.31
Rot. Bonds9

About 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide

3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide (PubChem CID 109039924) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
PubChem CID109039924
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccccc2OC(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-4-24-17-11-9-16(10-12-17)21-14-13-20(23)22-18-7-5-6-8-19(18)25-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23)
InChIKeyLRPVOAJPYQAIPO-UHFFFAOYSA-N
XLogP4.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)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

3-(4-chloroanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109038195
N-(4-ethoxyphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987274
3-(2-propan-2-ylanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109036788
N'-(2-ethoxyphenyl)-N-(4-propan-2-yloxyphenyl)oxamide
CID 108987263
3-[4-(diethylamino)anilino]-N-(2-ethoxyphenyl)propanamide
CID 109039756
N-(2-propan-2-yloxyphenyl)-2-(4-prop-2-enoxyanilino)acetamide
CID 54821181
2-[4-(3-methylbutoxy)anilino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 54822042
3-(3,4-dimethylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109035537
3-(1,3-benzodioxol-5-ylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109040119
4-(methylamino)-N-(2-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119714850
2-(2-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54828741
3-(2-methylpropylamino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 109012857

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The IUPAC name of 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide (CID 109039924) is 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide.
What is the SMILES notation for 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The canonical SMILES for 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide is CCOc1ccc(NCCC(=O)Nc2ccccc2OC(C)C)cc1.
What is the InChIKey of 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
The InChIKey is LRPVOAJPYQAIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-4-24-17-11-9-16(10-12-17)21-14-13-20(23)22-18-7-5-6-8-19(18)25-15(2)3/h5-12,15,21H,4,13-14H2,1-3H3,(H,22,23).
What are the key properties of 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide?
3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 4.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide is sourced from PubChem (CID 109039924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).