3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

C16H19NO4 — CID 64836626

IUPAC3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCOc1ccc(C(C)O)cc1CN1C(=O)C2CC2C1=O
InChIInChI=1S/C16H19NO4/c1-3-21-14-5-4-10(9(2)18)6-11(14)8-17-15(19)12-7-13(12)16(17)20/h4-6,9,12-13,18H,3,7-8H2,1-2H3
InChIKeyRLSVJYFXPMYXRR-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.64
Rot. Bonds5

About 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 64836626) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID64836626
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCCOc1ccc(C(C)O)cc1CN1C(=O)C2CC2C1=O
InChIInChI=1S/C16H19NO4/c1-3-21-14-5-4-10(9(2)18)6-11(14)8-17-15(19)12-7-13(12)16(17)20/h4-6,9,12-13,18H,3,7-8H2,1-2H3
InChIKeyRLSVJYFXPMYXRR-UHFFFAOYSA-N
XLogP1.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]pyridin-4-one
CID 62880677
1-[3-[(4,4-dimethylpiperidin-1-yl)methyl]-4-ethoxyphenyl]ethanol
CID 62931458
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperidine-2,6-dione
CID 79497402
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643
1-(3-chloro-4-ethoxyphenyl)ethanol
CID 82076442
1-[[5-(1-hydroxyethyl)-2-methoxyphenyl]methyl]-4-methylpiperazine-2,5-dione
CID 79936035
1-(3-ethyl-4-methoxyphenyl)ethanol
CID 83529963
1-[[5-(1-aminoethyl)-2-ethoxyphenyl]methyl]-3-methylimidazolidin-2-one
CID 62490292
(1R)-1-(3-ethoxy-4-fluorophenyl)ethanol
CID 97294338
1-[[5-(1-aminoethyl)-2-methoxyphenyl]methyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79178939
2-[(5-amino-2-methoxyphenyl)methyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114391454
1-[4-methoxy-3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]phenyl]ethanol
CID 64597058

Frequently Asked Questions

What is the IUPAC name of 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 64836626) is 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is CCOc1ccc(C(C)O)cc1CN1C(=O)C2CC2C1=O.
What is the InChIKey of 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is RLSVJYFXPMYXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-21-14-5-4-10(9(2)18)6-11(14)8-17-15(19)12-7-13(12)16(17)20/h4-6,9,12-13,18H,3,7-8H2,1-2H3.
What are the key properties of 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-ethoxy-5-(1-hydroxyethyl)phenyl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 64836626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).