2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide

C16H22N2O3 — CID 110736737

IUPAC2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCc1cccc(OCC(=O)NC2CC(=O)N(C(C)C)C2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)18-9-13(8-16(18)20)17-15(19)10-21-14-6-4-5-12(3)7-14/h4-7,11,13H,8-10H2,1-3H3,(H,17,19)
InChIKeyGADWVIIMLRZFPO-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds5

About 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide

2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide (PubChem CID 110736737) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
PubChem CID110736737
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
SMILESCc1cccc(OCC(=O)NC2CC(=O)N(C(C)C)C2)c1
InChIInChI=1S/C16H22N2O3/c1-11(2)18-9-13(8-16(18)20)17-15(19)10-21-14-6-4-5-12(3)7-14/h4-7,11,13H,8-10H2,1-3H3,(H,17,19)
InChIKeyGADWVIIMLRZFPO-UHFFFAOYSA-N
XLogP1.50
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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenoxy)-N-[(2-oxo-3-propan-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110726002
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 16822124
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-(4-hydroxycyclohexyl)-2-(3-methylphenoxy)acetamide
CID 17453727
2-(4-methoxyphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide
CID 110736682
2-(3-methylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7286124
2-(3-methylphenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388822
1-(3-methoxyphenyl)-3-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)urea
CID 108876863
1-[(3S)-5-oxo-1-propan-2-ylpyrrolidin-3-yl]-3-(2-phenoxyethyl)urea
CID 95774867
3-(2-methylphenyl)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)propanamide
CID 110736722
N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-2-naphthalen-2-yloxyacetamide
CID 16822122
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The IUPAC name of 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide (CID 110736737) is 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide.
What is the SMILES notation for 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The canonical SMILES for 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide is Cc1cccc(OCC(=O)NC2CC(=O)N(C(C)C)C2)c1.
What is the InChIKey of 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
The InChIKey is GADWVIIMLRZFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)18-9-13(8-16(18)20)17-15(19)10-21-14-6-4-5-12(3)7-14/h4-7,11,13H,8-10H2,1-3H3,(H,17,19).
What are the key properties of 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide?
2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenoxy)-N-(5-oxo-1-propan-2-ylpyrrolidin-3-yl)acetamide is sourced from PubChem (CID 110736737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).