3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C20H25N3O2 — CID 109039433

IUPAC3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCOc1ccccc1NCCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-7-3-2-6-18(19)21-13-12-20(24)22-16-8-10-17(11-9-16)23-14-4-5-15-23/h2-3,6-11,21H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyVTKCWXJIEDMEGF-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.74
Rot. Bonds7

About 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 109039433) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID109039433
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCOc1ccccc1NCCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-7-3-2-6-18(19)21-13-12-20(24)22-16-8-10-17(11-9-16)23-14-4-5-15-23/h2-3,6-11,21H,4-5,12-15H2,1H3,(H,22,24)
InChIKeyVTKCWXJIEDMEGF-UHFFFAOYSA-N
XLogP3.74
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
3-(4-chloro-2-methoxy-5-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041770
3-(2,3-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109036061
N-phenyl-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109033848
N-(2-ethoxyphenyl)-3-(4-piperidin-1-ylanilino)propanamide
CID 109039758
3-(4-pyrrolidin-1-ylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109041751
N-phenyl-3-(4-piperidin-1-ylanilino)propanamide
CID 109033849
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
methyl 4-[3-(4-pyrrolidin-1-ylanilino)propanoylamino]benzoate
CID 109041473

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 109039433) is 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is COc1ccccc1NCCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is VTKCWXJIEDMEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-7-3-2-6-18(19)21-13-12-20(24)22-16-8-10-17(11-9-16)23-14-4-5-15-23/h2-3,6-11,21H,4-5,12-15H2,1H3,(H,22,24).
What are the key properties of 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 339.44 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 109039433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).