3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

C23H29N3O2 — CID 113120869

IUPAC3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCC2)cc1)CCc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-19(27)25(17-13-20-7-3-2-4-8-20)18-14-23(28)24-21-9-11-22(12-10-21)26-15-5-6-16-26/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,28)
InChIKeyHUQFALIZIHZAKO-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.71
Rot. Bonds8

About 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide

3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (PubChem CID 113120869) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
PubChem CID113120869
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1ccc(N2CCCC2)cc1)CCc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-19(27)25(17-13-20-7-3-2-4-8-20)18-14-23(28)24-21-9-11-22(12-10-21)26-15-5-6-16-26/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,28)
InChIKeyHUQFALIZIHZAKO-UHFFFAOYSA-N
XLogP3.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.71
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-[acetyl(2-phenylethyl)amino]-N-(4-piperidin-1-ylphenyl)propanamide
CID 113120870
3-[acetyl(2-phenylethyl)amino]-N-(4-ethylphenyl)propanamide
CID 113120822
3-[acetyl(2-phenylethyl)amino]-N-(4-chlorophenyl)propanamide
CID 113120836
3-[acetyl(2-methylpropyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113116063
3-[acetyl(2-phenylethyl)amino]-N-(3,5-dimethylphenyl)propanamide
CID 113120818
3-(N-acetyl-2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 113125296
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
3-[acetyl(2-phenylethyl)amino]-N-(3-methylphenyl)propanamide
CID 113120810
3-(benzylamino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109019030
3-[acetyl(3-methylbutyl)amino]-N-[4-(4-methylpiperidin-1-yl)phenyl]propanamide
CID 113122956
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
N-(4-acetamidophenyl)-2-[acetyl(2-phenylethyl)amino]acetamide
CID 113164087

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The IUPAC name of 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide (CID 113120869) is 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1ccc(N2CCCC2)cc1)CCc1ccccc1.
What is the InChIKey of 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
The InChIKey is HUQFALIZIHZAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-19(27)25(17-13-20-7-3-2-4-8-20)18-14-23(28)24-21-9-11-22(12-10-21)26-15-5-6-16-26/h2-4,7-12H,5-6,13-18H2,1H3,(H,24,28).
What are the key properties of 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide?
3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide has a molecular weight of 379.50 g/mol, XLogP of 3.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(2-phenylethyl)amino]-N-(4-pyrrolidin-1-ylphenyl)propanamide is sourced from PubChem (CID 113120869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).