2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide

C14H19NO5 — CID 129079902

IUPAC2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide
SMILESCON(C)C(=O)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C14H19NO5/c1-15(18-2)14(17)11-7-6-10(9-12(11)16)20-13-5-3-4-8-19-13/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyBZLNETWXAZQIPV-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.93
Rot. Bonds4

About 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide

2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide (PubChem CID 129079902) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide
PubChem CID129079902
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide
SMILESCON(C)C(=O)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C14H19NO5/c1-15(18-2)14(17)11-7-6-10(9-12(11)16)20-13-5-3-4-8-19-13/h6-7,9,13,16H,3-5,8H2,1-2H3
InChIKeyBZLNETWXAZQIPV-UHFFFAOYSA-N
XLogP1.93
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-(oxan-2-yloxy)benzoic acid
CID 129079966
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 10808037
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714
4-(oxan-2-yloxy)phenol
CID 11745519
methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
2-tert-butyl-4-(oxan-2-yloxy)phenol
CID 12842791
(E)-1-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-3-[3-(3-methylbut-2-enyl)-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 11547723
(E)-1-(2-hydroxy-4-methoxyphenyl)-3-[3-methoxy-4-(oxan-2-yloxy)phenyl]prop-2-en-1-one
CID 146223495
4-(oxan-2-yloxy)benzoic acid
CID 11183645
2-(3,4-dimethylphenoxy)oxane
CID 10987441
1-[2-(4-methylpiperazin-1-yl)-4-[(2R)-oxan-2-yl]oxyphenyl]ethanone
CID 129391965

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide?
The IUPAC name of 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide (CID 129079902) is 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide?
The canonical SMILES for 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide is CON(C)C(=O)c1ccc(OC2CCCCO2)cc1O.
What is the InChIKey of 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide?
The InChIKey is BZLNETWXAZQIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-15(18-2)14(17)11-7-6-10(9-12(11)16)20-13-5-3-4-8-19-13/h6-7,9,13,16H,3-5,8H2,1-2H3.
What are the key properties of 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide?
2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide has a molecular weight of 281.31 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methoxy-N-methyl-4-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 129079902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).