2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide

C20H23N3O2 — CID 113177016

IUPAC2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)23(15-20(25)21-17-7-3-2-4-8-17)19-11-9-18(10-12-19)22-13-5-6-14-22/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,25)
InChIKeyCXNTWZBEXWOHBO-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.28
Rot. Bonds5

About 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide

2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide (PubChem CID 113177016) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide.

Molecular Properties

Compound Name2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
PubChem CID113177016
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide
SMILESCC(=O)N(CC(=O)Nc1ccccc1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)23(15-20(25)21-17-7-3-2-4-8-17)19-11-9-18(10-12-19)22-13-5-6-14-22/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,25)
InChIKeyCXNTWZBEXWOHBO-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-(N,4-diacetylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 113175689
2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 113177048
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
2-(N-acetyl-3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113173445
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
2-(N-acetyl-3-cyanoanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113180974
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-ethyl-N-phenylacetamide
CID 113177031
2-(N-acetyl-4-piperidin-1-ylanilino)-N-[(2-methylphenyl)methyl]acetamide
CID 113177110
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(2,4-difluorophenyl)acetamide
CID 113177074
2-(N-acetyl-4-propan-2-ylanilino)-N-phenylacetamide
CID 113169827

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide?
The IUPAC name of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide (CID 113177016) is 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide.
What is the SMILES notation for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide?
The canonical SMILES for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide is CC(=O)N(CC(=O)Nc1ccccc1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide?
The InChIKey is CXNTWZBEXWOHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-16(24)23(15-20(25)21-17-7-3-2-4-8-17)19-11-9-18(10-12-19)22-13-5-6-14-22/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,25).
What are the key properties of 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide?
2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide has a molecular weight of 337.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-phenylacetamide is sourced from PubChem (CID 113177016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).