4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide

C13H17NO3 — CID 61436471

IUPAC4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-14(9-12-3-2-8-17-12)13(16)10-4-6-11(15)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyMXFHZRBXCIWZNF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.64
Rot. Bonds3

About 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide

4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 61436471) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID61436471
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCN(CC1CCCO1)C(=O)c1ccc(O)cc1
InChIInChI=1S/C13H17NO3/c1-14(9-12-3-2-8-17-12)13(16)10-4-6-11(15)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3
InChIKeyMXFHZRBXCIWZNF-UHFFFAOYSA-N
XLogP1.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
4-acetamido-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110745427
4-(dimethylsulfamoyl)-N-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 110733144
4-amino-N-methyl-N-(oxan-2-ylmethyl)benzamide;hydrochloride
CID 119746333
N-methyl-N-[[(2R)-oxolan-2-yl]methyl]-4-phenylmethoxybenzamide
CID 96998228
N-methyl-N-(oxolan-2-ylmethyl)-1,3-benzodioxole-5-carboxamide
CID 110745419
N-methyl-N-(oxolan-2-ylmethyl)-4-prop-2-enoxybenzamide
CID 71934119
N-methyl-N-(oxolan-2-ylmethyl)-2,1,3-benzoxadiazole-5-carboxamide
CID 25104174
N-(cyclohexylmethyl)-4-hydroxy-N-methylbenzamide
CID 54948596

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide (CID 61436471) is 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide is CN(CC1CCCO1)C(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is MXFHZRBXCIWZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-14(9-12-3-2-8-17-12)13(16)10-4-6-11(15)7-5-10/h4-7,12,15H,2-3,8-9H2,1H3.
What are the key properties of 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide?
4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-methyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 61436471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).