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

C14H19NO4 — CID 107301454

IUPAC2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCOC2C)c1O
InChIInChI=1S/C14H19NO4/c1-9-4-3-5-11(12(9)16)13(17)15-8-14(18)6-7-19-10(14)2/h3-5,10,16,18H,6-8H2,1-2H3,(H,15,17)
InChIKeyXGODIRFSSYCGOX-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.97
Rot. Bonds3

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

2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide (PubChem CID 107301454) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
PubChem CID107301454
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC2(O)CCOC2C)c1O
InChIInChI=1S/C14H19NO4/c1-9-4-3-5-11(12(9)16)13(17)15-8-14(18)6-7-19-10(14)2/h3-5,10,16,18H,6-8H2,1-2H3,(H,15,17)
InChIKeyXGODIRFSSYCGOX-UHFFFAOYSA-N
XLogP0.97
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylpyridine-2-carboxamide
CID 107301519
5-bromo-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methylbenzamide
CID 107302287
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
CID 107302188
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-4-methylbenzamide
CID 107302098
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-iodobenzamide
CID 107301897
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150
2-hydroxy-N-[(1-hydroxycyclohexyl)methyl]-3-methylbenzamide
CID 65113571
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
4-tert-butyl-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301763
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide (CID 107301454) is 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC2(O)CCOC2C)c1O.
What is the InChIKey of 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide?
The InChIKey is XGODIRFSSYCGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9-4-3-5-11(12(9)16)13(17)15-8-14(18)6-7-19-10(14)2/h3-5,10,16,18H,6-8H2,1-2H3,(H,15,17).
What are the key properties of 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide?
2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-3-methylbenzamide is sourced from PubChem (CID 107301454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).