2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H25N3O3 — CID 109009591

IUPAC2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-18-10-7-16(13-19(18)26-2)21-14-20(24)22-15-5-8-17(9-6-15)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyLVKMBFXRZARLME-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.35
Rot. Bonds7

About 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 109009591) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID109009591
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-18-10-7-16(13-19(18)26-2)21-14-20(24)22-15-5-8-17(9-6-15)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12,14H2,1-2H3,(H,22,24)
InChIKeyLVKMBFXRZARLME-UHFFFAOYSA-N
XLogP3.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109003193
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
methyl 3-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 51110852
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-(2,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 78804056
2-(2-methoxyphenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 9078575
2-[(2-methoxydibenzofuran-3-yl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 16580953
2,6-dimethoxy-N-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]benzamide
CID 110407330
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(4-piperidin-1-ylphenyl)butanamide
CID 18107404
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 109009591) is 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is COc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is LVKMBFXRZARLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-18-10-7-16(13-19(18)26-2)21-14-20(24)22-15-5-8-17(9-6-15)23-11-3-4-12-23/h5-10,13,21H,3-4,11-12,14H2,1-2H3,(H,22,24).
What are the key properties of 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 355.44 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 109009591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).