N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

C17H24N2O2 — CID 113124813

IUPACN-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC1)c1c(C)cccc1C
InChIInChI=1S/C17H24N2O2/c1-13-7-6-8-14(2)17(13)19(15(3)20)12-9-16(21)18-10-4-5-11-18/h6-8H,4-5,9-12H2,1-3H3
InChIKeyVLDCONXMTCMWEF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.67
Rot. Bonds4

About N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide

N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 113124813) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID113124813
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCC(=O)N(CCC(=O)N1CCCC1)c1c(C)cccc1C
InChIInChI=1S/C17H24N2O2/c1-13-7-6-8-14(2)17(13)19(15(3)20)12-9-16(21)18-10-4-5-11-18/h6-8H,4-5,9-12H2,1-3H3
InChIKeyVLDCONXMTCMWEF-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 113125572
N-[3-(azepan-1-yl)-3-oxopropyl]-N-(2,6-difluorophenyl)acetamide
CID 113135398
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-phenylacetamide
CID 113123338
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-(3-fluorophenyl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 113132342
N-(2-methyl-6-propan-2-ylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 113170241
N-(4-acetylphenyl)-N-[3-(azepan-1-yl)-3-oxopropyl]acetamide
CID 113130850
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130411
2-chloro-N-(2,6-dimethylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 70581631
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-(4-propan-2-ylphenyl)acetamide
CID 113125817
N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113134658
N-[3-(azepan-1-yl)-3-oxopropyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113130461

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 113124813) is N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is CC(=O)N(CCC(=O)N1CCCC1)c1c(C)cccc1C.
What is the InChIKey of N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is VLDCONXMTCMWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-7-6-8-14(2)17(13)19(15(3)20)12-9-16(21)18-10-4-5-11-18/h6-8H,4-5,9-12H2,1-3H3.
What are the key properties of N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 288.39 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 113124813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).