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

C16H22N2O3 — CID 108942056

IUPAC3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-14-8-4-3-7-13(14)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)
InChIKeyGGPGFZXYNIHICY-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.42
Rot. Bonds5

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

3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide (PubChem CID 108942056) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
PubChem CID108942056
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide
SMILESCC(C)Oc1ccccc1NC(=O)CC(=O)N1CCCC1
InChIInChI=1S/C16H22N2O3/c1-12(2)21-14-8-4-3-7-13(14)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)
InChIKeyGGPGFZXYNIHICY-UHFFFAOYSA-N
XLogP2.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-methylpiperidin-1-yl)-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108942808
3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxo-N-(2-propan-2-yloxyphenyl)propanamide
CID 108950830
3-oxo-N-(2-propan-2-ylphenyl)-3-pyrrolidin-1-ylpropanamide
CID 108942028
3-oxo-N-(2-phenoxyphenyl)-3-piperidin-1-ylpropanamide
CID 108942475
3-(azepan-1-yl)-3-oxo-N-(2-phenoxyphenyl)propanamide
CID 108952746
3-oxo-3-piperidin-1-yl-N-(2-propan-2-ylphenyl)propanamide
CID 108942407
N-(2-propan-2-yloxyphenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834093
N'-(2-chlorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954883
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
N-(2-propan-2-yloxyphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044330
N-cyclopentyl-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108942247
N'-(2-fluorophenyl)-N-(2-propan-2-yloxyphenyl)propanediamide
CID 108954759

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide (CID 108942056) is 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide is CC(C)Oc1ccccc1NC(=O)CC(=O)N1CCCC1.
What is the InChIKey of 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide?
The InChIKey is GGPGFZXYNIHICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12(2)21-14-8-4-3-7-13(14)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-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide?
3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide has a molecular weight of 290.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-propan-2-yloxyphenyl)-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 108942056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).