3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide

C16H22N2O2 — CID 108942028

IUPAC3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)c1ccccc1NC(=O)CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)13-7-3-4-8-14(13)17-15(19)11-16(20)18-9-5-6-10-18/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeyQJIGYKOSYJISPC-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.76
Rot. Bonds4

About 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide

3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 108942028) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID108942028
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)c1ccccc1NC(=O)CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O2/c1-12(2)13-7-3-4-8-14(13)17-15(19)11-16(20)18-9-5-6-10-18/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,17,19)
InChIKeyQJIGYKOSYJISPC-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
3-(4-benzylpiperazin-1-yl)-3-oxo-N-(2-propan-2-ylphenyl)propanamide
CID 108949326
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942056
N-(2-fluorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942414
2-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 18078477
2-[(2R)-2-methylpiperidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2655206
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)acetamide
CID 8904308
2-iodo-N-(2-propan-2-ylphenyl)acetamide
CID 4198881
N-(2-propan-2-ylphenyl)propanamide
CID 723442
3-(4-acetylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 109018344
(2R)-2-(azocan-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9460394
N-(2-methylphenyl)-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944390

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide (CID 108942028) is 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide is CC(C)c1ccccc1NC(=O)CC(=O)N1CCCC1.
What is the InChIKey of 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is QJIGYKOSYJISPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-12(2)13-7-3-4-8-14(13)17-15(19)11-16(20)18-9-5-6-10-18/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,17,19).
What are the key properties of 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide?
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 274.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108942028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).