3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one

C15H22N2O2 — CID 23073320

IUPAC3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one
SMILESCCON(Cc1cc(C)cc(C)c1)C1CCNC1=O
InChIInChI=1S/C15H22N2O2/c1-4-19-17(14-5-6-16-15(14)18)10-13-8-11(2)7-12(3)9-13/h7-9,14H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyMWBRNHVRMMANJL-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds5

About 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one

3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one (PubChem CID 23073320) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one
PubChem CID23073320
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one
SMILESCCON(Cc1cc(C)cc(C)c1)C1CCNC1=O
InChIInChI=1S/C15H22N2O2/c1-4-19-17(14-5-6-16-15(14)18)10-13-8-11(2)7-12(3)9-13/h7-9,14H,4-6,10H2,1-3H3,(H,16,18)
InChIKeyMWBRNHVRMMANJL-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one
CID 23073323
3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one
CID 23073333
3-[ethoxy-[(3-fluorophenyl)methyl]amino]pyrrolidin-2-one;7-oxabicyclo[2.2.1]hepta-1,3,5-triene
CID 23073334
3-[benzyl(ethyl)amino]pyrrolidin-2-one
CID 23073394
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
3-(dibenzylamino)pyrrolidin-2-one
CID 85390185
3-(dimethylamino)pyrrolidin-2-one;molecular hydrogen
CID 165132748
3-[(3-methylphenyl)methyl]azepan-2-one
CID 104679648
[acetyl-(2-oxopyrrolidin-3-yl)amino]methyl-ethoxyphosphinic acid
CID 15598006
3-[methyl(3-methylbut-2-enyl)amino]pyrrolidin-2-one
CID 130694422
N-(2-oxopyrrolidin-3-yl)-N-propylacetamide
CID 91422765
tert-butyl 2-[ethyl-[(3S)-2-oxopyrrolidin-3-yl]amino]acetate
CID 129359149

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one (CID 23073320) is 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one is CCON(Cc1cc(C)cc(C)c1)C1CCNC1=O.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one?
The InChIKey is MWBRNHVRMMANJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-19-17(14-5-6-16-15(14)18)10-13-8-11(2)7-12(3)9-13/h7-9,14H,4-6,10H2,1-3H3,(H,16,18).
What are the key properties of 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one?
3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one has a molecular weight of 262.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one is sourced from PubChem (CID 23073320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).