3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide

C14H19NO3 — CID 61436266

IUPAC3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCO2)cc1O
InChIInChI=1S/C14H19NO3/c1-10-5-6-11(8-13(10)16)14(17)15(2)9-12-4-3-7-18-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeySMYFYZYKNPCYEU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds3

About 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide

3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61436266) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61436266
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCO2)cc1O
InChIInChI=1S/C14H19NO3/c1-10-5-6-11(8-13(10)16)14(17)15(2)9-12-4-3-7-18-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3
InChIKeySMYFYZYKNPCYEU-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436423
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
4-amino-N-methyl-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119708774
4-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435799
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
3-(chloromethyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61435845
2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide (CID 61436266) is 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(C)CC2CCCO2)cc1O.
What is the InChIKey of 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is SMYFYZYKNPCYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-6-11(8-13(10)16)14(17)15(2)9-12-4-3-7-18-12/h5-6,8,12,16H,3-4,7,9H2,1-2H3.
What are the key properties of 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61436266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).