3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

C12H14N2O3 — CID 155822812

IUPAC3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(Cc2cccc(N)c2)C1=O
InChIInChI=1S/C12H14N2O3/c1-12(2)10(15)14(11(16)17-12)7-8-4-3-5-9(13)6-8/h3-6H,7,13H2,1-2H3
InChIKeyIIFZQASPUKZTMF-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.53
Rot. Bonds2

About 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione

3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (PubChem CID 155822812) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
PubChem CID155822812
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
SMILESCC1(C)OC(=O)N(Cc2cccc(N)c2)C1=O
InChIInChI=1S/C12H14N2O3/c1-12(2)10(15)14(11(16)17-12)7-8-4-3-5-9(13)6-8/h3-6H,7,13H2,1-2H3
InChIKeyIIFZQASPUKZTMF-UHFFFAOYSA-N
XLogP1.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-(phenylmethyl)-2,4-oxazolidinedione
CID 232547
2,4-Oxazolidinedione, 3-(p-aminophenethyl)-5-methyl-
CID 3021843
3-(3-(Aminomethyl)phenyl)-1,3-oxazolidin-2-one
CID 28740412
3-[4-Fluoro-3-(trifluoromethyl)phenyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 162538048
tert-butyl N-[(3-aminophenyl)methyl]-N-methylcarbamate
CID 10847423
3-[(4-Aminophenyl)methyl]-1,3-oxazolidin-2-one
CID 18624560
1-((3-Aminophenyl)methyl)pyrrolidin-2-one
CID 18800521
tert-butyl N-[(3-aminophenyl)methyl]-N-ethylcarbamate
CID 22401335
N-[[3-(3-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 14011415
N-[[2-oxo-3-(3-propylphenyl)-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44270879
N-[[3-(3-ethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44270923
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-2-methoxyacetamide
CID 45816441

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione (CID 155822812) is 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is CC1(C)OC(=O)N(Cc2cccc(N)c2)C1=O.
What is the InChIKey of 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
The InChIKey is IIFZQASPUKZTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-12(2)10(15)14(11(16)17-12)7-8-4-3-5-9(13)6-8/h3-6H,7,13H2,1-2H3.
What are the key properties of 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione?
3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione has a molecular weight of 234.25 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminophenyl)methyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 155822812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).