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

C14H19NO3 — CID 61436423

IUPAC2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCO2)c(O)c1
InChIInChI=1S/C14H19NO3/c1-10-5-6-12(13(16)8-10)14(17)15(2)9-11-4-3-7-18-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyUUBDVFDGXHCPJR-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.95
Rot. Bonds3

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

2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61436423) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61436423
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCc1ccc(C(=O)N(C)CC2CCCO2)c(O)c1
InChIInChI=1S/C14H19NO3/c1-10-5-6-12(13(16)8-10)14(17)15(2)9-11-4-3-7-18-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3
InChIKeyUUBDVFDGXHCPJR-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

2-hydroxy-N,5-dimethyl-N-(oxan-2-ylmethyl)benzamide
CID 47344741
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436471
5-amino-2,4-difluoro-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 61430371
2-chloro-N-methyl-4-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 62877600
4-methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 82978354
N-[(3-bromocyclobutyl)methyl]-2-hydroxy-N,4-dimethylbenzamide
CID 80672604
2-amino-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)benzamide
CID 61430574
N-methyl-N-(oxolan-2-ylmethyl)pyridine-4-carboxamide
CID 110733149
N-ethyl-2-hydroxy-N,4-dimethylbenzamide
CID 43243493
N,1,2,5-tetramethyl-N-(oxan-2-ylmethyl)pyrrole-3-carboxamide
CID 135113148
N,2-dimethyl-5-[(3-methylphenyl)sulfamoyl]-N-(oxolan-2-ylmethyl)benzamide
CID 56503283

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide (CID 61436423) is 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide is Cc1ccc(C(=O)N(C)CC2CCCO2)c(O)c1.
What is the InChIKey of 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is UUBDVFDGXHCPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-6-12(13(16)8-10)14(17)15(2)9-11-4-3-7-18-11/h5-6,8,11,16H,3-4,7,9H2,1-2H3.
What are the key properties of 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide?
2-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 2-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61436423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).