methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide

C12H19NO4 — CID 155715793

IUPACmethanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide
SMILESCO.COC.O=CNC(C=O)c1ccccc1
InChIInChI=1S/C9H9NO2.C2H6O.CH4O/c11-6-9(10-7-12)8-4-2-1-3-5-8;1-3-2;1-2/h1-7,9H,(H,10,12);1-2H3;2H,1H3
InChIKeyJIRKVCWEPHVRHC-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.54
Rot. Bonds4

About methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide

methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide (PubChem CID 155715793) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide.

Molecular Properties

Compound Namemethanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide
PubChem CID155715793
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide
SMILESCO.COC.O=CNC(C=O)c1ccccc1
InChIInChI=1S/C9H9NO2.C2H6O.CH4O/c11-6-9(10-7-12)8-4-2-1-3-5-8;1-3-2;1-2/h1-7,9H,(H,10,12);1-2H3;2H,1H3
InChIKeyJIRKVCWEPHVRHC-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide 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

methanol;methyl N-[(1S)-2-oxo-1-phenylethyl]carbamate
CID 144634454
2-(ethenylamino)-2-phenylacetaldehyde
CID 143356173
2-(tert-butylamino)-2-phenylacetaldehyde
CID 178029688
methyl (2R,3R,4R)-4-fluoro-5-oxo-2,3-diphenylpentanoate
CID 164670038
methanol;2-phenyl-2-sulfanylacetaldehyde
CID 177056526
dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
N-[ethoxy(phenyl)methyl]formamide
CID 24975232
N-[(R)-(4-methylphenyl)-phenylmethyl]formamide
CID 2119878
2-(methylamino)-2-(4-phenylphenyl)acetaldehyde
CID 116954169
ethyl 2-amino-2-phenylacetate;ethyl 2-formamido-2-phenylacetate;hydrochloride
CID 158687783
methyl (2R,3S)-3-fluoro-2,3-diphenylpropanoate
CID 72723306
4-methyl-2-phenylpent-3-enal
CID 19361032

Frequently Asked Questions

What is the IUPAC name of methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide?
The IUPAC name of methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide (CID 155715793) is methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide.
What is the SMILES notation for methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide?
The canonical SMILES for methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide is CO.COC.O=CNC(C=O)c1ccccc1.
What is the InChIKey of methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide?
The InChIKey is JIRKVCWEPHVRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C2H6O.CH4O/c11-6-9(10-7-12)8-4-2-1-3-5-8;1-3-2;1-2/h1-7,9H,(H,10,12);1-2H3;2H,1H3.
What are the key properties of methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide?
methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide has a molecular weight of 241.29 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;methoxymethane;N-(2-oxo-1-phenylethyl)formamide is sourced from PubChem (CID 155715793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).