3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide

C14H21NO3 — CID 103958358

IUPAC3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C14H21NO3/c1-4-14(3,7-8-16)15-13(18)11-6-5-10(2)12(17)9-11/h5-6,9,16-17H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyILWDYJNFRLUUQD-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds5

About 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide

3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide (PubChem CID 103958358) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
PubChem CID103958358
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
SMILESCCC(C)(CCO)NC(=O)c1ccc(C)c(O)c1
InChIInChI=1S/C14H21NO3/c1-4-14(3,7-8-16)15-13(18)11-6-5-10(2)12(17)9-11/h5-6,9,16-17H,4,7-8H2,1-3H3,(H,15,18)
InChIKeyILWDYJNFRLUUQD-UHFFFAOYSA-N
XLogP1.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 106164060
3,4-difluoro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 113356518
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
N-(1-hydroxy-3-methylpentan-3-yl)-3-sulfanylbenzamide
CID 114153832
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
CID 110003023
N-(1-hydroxy-3-methylpentan-3-yl)-2-methyl-5-sulfanylbenzamide
CID 106173286
3,5-dibromo-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103946097
N-[1-bromo-2-(bromomethyl)butan-2-yl]-3-hydroxy-4-methylbenzamide
CID 107867926
3-N-ethyl-1-N-(1-hydroxy-3-methylpentan-3-yl)-3-N-methylbenzene-1,3-dicarboxamide
CID 110002708
N-[(3R)-1-hydroxy-3-methylpentan-3-yl]-1H-indole-6-carboxamide
CID 97340429
N-(1-hydroxy-3-methylpentan-3-yl)pyridine-4-carboxamide
CID 86783655
3-hydroxy-4-iodo-N-(3-methylpentan-3-yl)benzamide
CID 104628403

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide (CID 103958358) is 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide is CCC(C)(CCO)NC(=O)c1ccc(C)c(O)c1.
What is the InChIKey of 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide?
The InChIKey is ILWDYJNFRLUUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-14(3,7-8-16)15-13(18)11-6-5-10(2)12(17)9-11/h5-6,9,16-17H,4,7-8H2,1-3H3,(H,15,18).
What are the key properties of 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide?
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide is sourced from PubChem (CID 103958358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).