2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C20H25N3O — CID 37480616

IUPAC2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-16-7-3-4-8-19(16)21-15-20(24)22-17-9-11-18(12-10-17)23-13-5-6-14-23/h3-4,7-12,21H,2,5-6,13-15H2,1H3,(H,22,24)
InChIKeyJVCNPGGAUVAULF-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.90
Rot. Bonds6

About 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 37480616) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID37480616
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCc1ccccc1NCC(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C20H25N3O/c1-2-16-7-3-4-8-19(16)21-15-20(24)22-17-9-11-18(12-10-17)23-13-5-6-14-23/h3-4,7-12,21H,2,5-6,13-15H2,1H3,(H,22,24)
InChIKeyJVCNPGGAUVAULF-UHFFFAOYSA-N
XLogP3.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.90
H-Bond Donors ≤ 52
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

2-(2-ethylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109007621
2-(2-ethylanilino)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 109007619
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
N-(4-morpholin-4-ylphenyl)-2-(2-propylanilino)acetamide
CID 33171709
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
2-(2-propan-2-yloxyanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109009287
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
2-(2-morpholin-4-ylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109010529
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
2-(2-ethylanilino)-N-(4-methoxyphenyl)acetamide
CID 26439643
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 37480616) is 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCc1ccccc1NCC(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is JVCNPGGAUVAULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-2-16-7-3-4-8-19(16)21-15-20(24)22-17-9-11-18(12-10-17)23-13-5-6-14-23/h3-4,7-12,21H,2,5-6,13-15H2,1H3,(H,22,24).
What are the key properties of 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 323.44 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 37480616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).