4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

C13H19NO3 — CID 64558344

IUPAC4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-3-13(2,9-16)14-12(17)11-6-4-10(8-15)5-7-11/h4-7,15-16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyJNFNMEFXJCOLIZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.07
Rot. Bonds5

About 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide

4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (PubChem CID 64558344) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
PubChem CID64558344
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
SMILESCCC(C)(CO)NC(=O)c1ccc(CO)cc1
InChIInChI=1S/C13H19NO3/c1-3-13(2,9-16)14-12(17)11-6-4-10(8-15)5-7-11/h4-7,15-16H,3,8-9H2,1-2H3,(H,14,17)
InChIKeyJNFNMEFXJCOLIZ-UHFFFAOYSA-N
XLogP1.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752
4-(carbamoylamino)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64555959
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-(1-hydroxy-2-methylbutan-2-yl)-4-(trifluoromethoxy)benzamide
CID 64555572
4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
CID 114174177
N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64556207
3-[[4-(hydroxymethyl)benzoyl]amino]-3-methylbutanoic acid
CID 64670755
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
4-chloro-N-(1-hydroxy-3-methylpentan-3-yl)benzamide
CID 103945880
4-[[4-(hydroxymethyl)benzoyl]amino]-4-methylpentanoic acid
CID 62041548
N-[2-[(1-hydroxy-2-methylbutan-2-yl)amino]-2-oxoethyl]-4-methylbenzamide
CID 64557985
4-[(Z)-N'-hydroxycarbamimidoyl]-N-(3-methylpentan-3-yl)benzamide
CID 106330933

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The IUPAC name of 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide (CID 64558344) is 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is CCC(C)(CO)NC(=O)c1ccc(CO)cc1.
What is the InChIKey of 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
The InChIKey is JNFNMEFXJCOLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-13(2,9-16)14-12(17)11-6-4-10(8-15)5-7-11/h4-7,15-16H,3,8-9H2,1-2H3,(H,14,17).
What are the key properties of 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide?
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide is sourced from PubChem (CID 64558344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).