ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide

C17H21NO3 — CID 142000932

IUPACethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
SMILESCC.CON(C)C(=O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C15H15NO3.C2H6/c1-16(19-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11;1-2/h3-10,17H,1-2H3;1-2H3
InChIKeyMHQDRUAQKIQCBW-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.72
Rot. Bonds3

About ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide

ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide (PubChem CID 142000932) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide.

Molecular Properties

Compound Nameethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
PubChem CID142000932
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Nameethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide
SMILESCC.CON(C)C(=O)c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C15H15NO3.C2H6/c1-16(19-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11;1-2/h3-10,17H,1-2H3;1-2H3
InChIKeyMHQDRUAQKIQCBW-UHFFFAOYSA-N
XLogP3.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.72
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

2,3-dihydroxy-N-methoxy-N-methylbenzamide
CID 114344880
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961
1-N,2-N-dimethoxy-1-N,2-N-dimethyl-3,6-diphenylbenzene-1,2-dicarboxamide
CID 58668872
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697
2-hydroxy-3-phenylbenzoic acid;hydrate
CID 141168272
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
2-hydroxy-3-(2-phenylphenyl)benzoic acid
CID 67822406
ethane;N-methoxy-N-methyl-2-phenylquinoline-4-carboxamide
CID 144714320
N-butyl-2-hydroxy-3-phenylbenzamide
CID 8579
3-benzoyl-N-methoxy-N-methylbenzamide
CID 86595919
2-(aminomethyl)-N-methoxy-N-methylbenzamide
CID 82505220

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide?
The IUPAC name of ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide (CID 142000932) is ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide.
What is the SMILES notation for ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide?
The canonical SMILES for ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide is CC.CON(C)C(=O)c1cccc(-c2ccccc2)c1O.
What is the InChIKey of ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide?
The InChIKey is MHQDRUAQKIQCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.C2H6/c1-16(19-2)15(18)13-10-6-9-12(14(13)17)11-7-4-3-5-8-11;1-2/h3-10,17H,1-2H3;1-2H3.
What are the key properties of ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide?
ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide has a molecular weight of 287.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-N-methoxy-N-methyl-3-phenylbenzamide is sourced from PubChem (CID 142000932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).