N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide

C14H19NO3 — CID 107302098

IUPACN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C14H19NO3/c1-10-3-5-12(6-4-10)13(16)15-9-14(17)7-8-18-11(14)2/h3-6,11,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyJEQATFACYAHLHC-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.26
Rot. Bonds3

About N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide (PubChem CID 107302098) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
PubChem CID107302098
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC2(O)CCOC2C)cc1
InChIInChI=1S/C14H19NO3/c1-10-3-5-12(6-4-10)13(16)15-9-14(17)7-8-18-11(14)2/h3-6,11,17H,7-9H2,1-2H3,(H,15,16)
InChIKeyJEQATFACYAHLHC-UHFFFAOYSA-N
XLogP1.26
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 107302261
3-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-5-methylbenzamide
CID 107302290
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107301506
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
3-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methoxybenzamide
CID 107301628
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
CID 107301454
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-(4-methylphenoxy)propanamide
CID 107302209
3-(dimethylamino)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301705

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide?
The IUPAC name of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide (CID 107302098) is N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide.
What is the SMILES notation for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide?
The canonical SMILES for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide is Cc1ccc(C(=O)NCC2(O)CCOC2C)cc1.
What is the InChIKey of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide?
The InChIKey is JEQATFACYAHLHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-3-5-12(6-4-10)13(16)15-9-14(17)7-8-18-11(14)2/h3-6,11,17H,7-9H2,1-2H3,(H,15,16).
What are the key properties of N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide?
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide is sourced from PubChem (CID 107302098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).