N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide

C13H19NO3 — CID 64557752

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-13(2,9-15)14-12(16)10-5-7-11(17-3)8-6-10/h5-8,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyFTAAIVOQMMJIQR-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds5

About N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide

N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide (PubChem CID 64557752) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
PubChem CID64557752
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(OC)cc1
InChIInChI=1S/C13H19NO3/c1-4-13(2,9-15)14-12(16)10-5-7-11(17-3)8-6-10/h5-8,15H,4,9H2,1-3H3,(H,14,16)
InChIKeyFTAAIVOQMMJIQR-UHFFFAOYSA-N
XLogP1.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 64555572
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
4-(carbamoylamino)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64555959
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
N-[5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-3,5-dimethylheptan-3-yl]-4-methoxybenzamide
CID 134270879
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
N-(1-bromo-2-methylbutan-2-yl)-3,5-dimethoxybenzamide
CID 113275625
N-(1-bromo-2-methylbutan-2-yl)-4-butoxybenzamide
CID 114314567
N-(1-amino-2-methylbutan-2-yl)-4-butoxybenzamide
CID 64550930
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide (CID 64557752) is N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide is CCC(C)(CO)NC(=O)c1ccc(OC)cc1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide?
The InChIKey is FTAAIVOQMMJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-13(2,9-15)14-12(16)10-5-7-11(17-3)8-6-10/h5-8,15H,4,9H2,1-3H3,(H,14,16).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide?
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide is sourced from PubChem (CID 64557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).