3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one

C14H20N2O3 — CID 23073323

IUPAC3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one
SMILESCCON(Cc1cccc(OC)c1)C1CCNC1=O
InChIInChI=1S/C14H20N2O3/c1-3-19-16(13-7-8-15-14(13)17)10-11-5-4-6-12(9-11)18-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,15,17)
InChIKeyRXHHNQZZYCLOFI-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.34
Rot. Bonds6

About 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one

3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one (PubChem CID 23073323) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one
PubChem CID23073323
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one
SMILESCCON(Cc1cccc(OC)c1)C1CCNC1=O
InChIInChI=1S/C14H20N2O3/c1-3-19-16(13-7-8-15-14(13)17)10-11-5-4-6-12(9-11)18-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,15,17)
InChIKeyRXHHNQZZYCLOFI-UHFFFAOYSA-N
XLogP1.34
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3,5-dimethylphenyl)methyl-ethoxyamino]pyrrolidin-2-one
CID 23073320
4-[(3-methoxyphenyl)methyl-methylamino]cyclohexan-1-one
CID 79119525
(1S,11R)-2-[(3-methoxyphenyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 110199304
2-[(3-methoxyphenyl)methyl]-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 156611580
1-ethyl-3-methoxybenzene;hydrofluoride
CID 174493623
N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
3-[[methyl-(2-oxoazepan-3-yl)amino]methyl]benzonitrile
CID 55153048
3-[(3,5-dimethylphenyl)methyl-(4-phenylpentoxy)amino]pyrrolidin-2-one
CID 23073333
N-[(3-methoxyphenyl)methyl]-N-methyl-1-(3-methylpiperidin-2-yl)methanamine
CID 107069067
3-[(3-ethoxyphenyl)methylamino]piperidin-2-one
CID 62092858
N-[(3-methoxyphenyl)methyl-methylsulfamoyl]-N-methylazetidin-3-amine
CID 66188280
N-cyclopropyl-N-[(3-methoxyphenyl)methyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 95553911

Frequently Asked Questions

What is the IUPAC name of 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one?
The IUPAC name of 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one (CID 23073323) is 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one?
The canonical SMILES for 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one is CCON(Cc1cccc(OC)c1)C1CCNC1=O.
What is the InChIKey of 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one?
The InChIKey is RXHHNQZZYCLOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-19-16(13-7-8-15-14(13)17)10-11-5-4-6-12(9-11)18-2/h4-6,9,13H,3,7-8,10H2,1-2H3,(H,15,17).
What are the key properties of 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one?
3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethoxy-[(3-methoxyphenyl)methyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 23073323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).