3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

C19H27N3O3 — CID 46564601

IUPAC3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCC(=O)N1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C19H27N3O3/c1-14-5-7-16(8-6-14)17(21-15(2)23)13-18(24)20-10-9-19(25)22-11-3-4-12-22/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyWRXYDVNUTMIPDO-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.69
Rot. Bonds7

About 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide

3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (PubChem CID 46564601) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
PubChem CID46564601
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
SMILESCC(=O)NC(CC(=O)NCCC(=O)N1CCCC1)c1ccc(C)cc1
InChIInChI=1S/C19H27N3O3/c1-14-5-7-16(8-6-14)17(21-15(2)23)13-18(24)20-10-9-19(25)22-11-3-4-12-22/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyWRXYDVNUTMIPDO-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(3-aminobutyl)-3-(4-methylphenyl)propanamide
CID 119498760
3-acetamido-N-[2-(ethylamino)ethyl]-3-(4-methylphenyl)propanamide
CID 119508593
3-acetamido-N-[3-(methylamino)propyl]-3-(4-methylphenyl)propanamide
CID 119433343
N-[3-(4-hydroxypiperidin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 110883945
2-[4-[3-acetamido-3-(4-methylphenyl)propanoyl]piperazin-1-yl]-N-methylacetamide
CID 78805058
1-[3-acetamido-3-(4-methylphenyl)propanoyl]-N-butylpiperidine-4-carboxamide
CID 86985211
N-[3-[2-(cyclopropanecarbonyl)hydrazinyl]-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 51195347
N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-3-(4-methylphenyl)pentanamide
CID 110354079
N-[1-(4-methylphenyl)-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 51194749
(3R)-3-acetamido-3-(4-methylphenyl)propanoic acid
CID 25323198
3-acetamido-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(4-methylphenyl)propanamide
CID 51195684
N-[3-(4-benzhydrylpiperazin-1-yl)-1-(4-methylphenyl)-3-oxopropyl]acetamide
CID 85475091

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide (CID 46564601) is 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is CC(=O)NC(CC(=O)NCCC(=O)N1CCCC1)c1ccc(C)cc1.
What is the InChIKey of 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
The InChIKey is WRXYDVNUTMIPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-14-5-7-16(8-6-14)17(21-15(2)23)13-18(24)20-10-9-19(25)22-11-3-4-12-22/h5-8,17H,3-4,9-13H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide?
3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide has a molecular weight of 345.44 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide is sourced from PubChem (CID 46564601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).