3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide

C23H29N3O2 — CID 113125296

IUPAC3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCCc1ccccc1N(CCC(=O)Nc1ccc(N2CCCC2)cc1)C(C)=O
InChIInChI=1S/C23H29N3O2/c1-3-19-8-4-5-9-22(19)26(18(2)27)17-14-23(28)24-20-10-12-21(13-11-20)25-15-6-7-16-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeyGNSQOMPUNORBMY-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.23
Rot. Bonds7

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

3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 113125296) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID113125296
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCCc1ccccc1N(CCC(=O)Nc1ccc(N2CCCC2)cc1)C(C)=O
InChIInChI=1S/C23H29N3O2/c1-3-19-8-4-5-9-22(19)26(18(2)27)17-14-23(28)24-20-10-12-21(13-11-20)25-15-6-7-16-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28)
InChIKeyGNSQOMPUNORBMY-UHFFFAOYSA-N
XLogP4.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.23
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

3-(N-acetyl-2,4-dimethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 113124259
methyl 4-[3-(N-acetyl-2-ethylanilino)propanoylamino]benzoate
CID 113125293
3-(N-acetyl-4-pyrrolidin-1-ylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113132001
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113120869
3-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
3-(2-ethylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109036225
2-(N-acetyl-2-tert-butylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113170522
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-2-morpholin-4-ylanilino)-N-(4-methylphenyl)propanamide
CID 113132196
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 113125296) is 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is CCc1ccccc1N(CCC(=O)Nc1ccc(N2CCCC2)cc1)C(C)=O.
What is the InChIKey of 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is GNSQOMPUNORBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-19-8-4-5-9-22(19)26(18(2)27)17-14-23(28)24-20-10-12-21(13-11-20)25-15-6-7-16-25/h4-5,8-13H,3,6-7,14-17H2,1-2H3,(H,24,28).
What are the key properties of 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 113125296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).