2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C22H29N3O — CID 52690468

IUPAC2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C22H29N3O/c1-4-24(21-14-17(2)13-18(3)15-21)16-22(26)23-19-7-9-20(10-8-19)25-11-5-6-12-25/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,23,26)
InChIKeyFQDINMSOPAYQFM-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.37
Rot. Bonds6

About 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 52690468) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID52690468
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(C)cc(C)c1
InChIInChI=1S/C22H29N3O/c1-4-24(21-14-17(2)13-18(3)15-21)16-22(26)23-19-7-9-20(10-8-19)25-11-5-6-12-25/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,23,26)
InChIKeyFQDINMSOPAYQFM-UHFFFAOYSA-N
XLogP4.37
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.37
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

2-(N-acetyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113168582
2-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010683
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
2-[ethyl(2-hydroxyethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 31994583
2-[ethyl(2-hydroxyethyl)amino]-N-(4-piperidin-1-ylphenyl)acetamide
CID 110881174
N-(4-pyrrolidin-1-ylphenyl)-2-(N,2,5-trimethylanilino)acetamide
CID 52689165
N-(4-acetamidophenyl)-2-(N-acetyl-4-pyrrolidin-1-ylanilino)acetamide
CID 113177065
2-[butyl(methyl)amino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109006153
2-(N-acetyl-3,5-dimethylanilino)-N-[4-(diethylamino)phenyl]acetamide
CID 113168581
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]propanamide
CID 112988748
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(N-ethyl-3-methylanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 109041935

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 52690468) is 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is CCN(CC(=O)Nc1ccc(N2CCCC2)cc1)c1cc(C)cc(C)c1.
What is the InChIKey of 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is FQDINMSOPAYQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-24(21-14-17(2)13-18(3)15-21)16-22(26)23-19-7-9-20(10-8-19)25-11-5-6-12-25/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,23,26).
What are the key properties of 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 351.49 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-3,5-dimethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 52690468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).