N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide

C14H21NO3 — CID 113258914

IUPACN-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)13(16)8-15-14(17)12-7-5-4-6-11(12)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyGQGUDJSJJZGVSG-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds6

About N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide

N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide (PubChem CID 113258914) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
PubChem CID113258914
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide
SMILESCOCc1ccccc1C(=O)NCC(O)C(C)C
InChIInChI=1S/C14H21NO3/c1-10(2)13(16)8-15-14(17)12-7-5-4-6-11(12)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17)
InChIKeyGQGUDJSJJZGVSG-UHFFFAOYSA-N
XLogP1.58
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103771486
N,2-bis(methoxymethyl)benzamide
CID 91153220
2-(methoxymethyl)-N-methylbenzamide
CID 60753373
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-(methoxymethyl)benzamide
CID 79247451
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-(methoxymethyl)benzamide
CID 51095630
N-(5-hydroxy-4-methylpentyl)-2-(methoxymethyl)benzamide
CID 103862006
2-(methoxymethyl)-N-[[3-[[[2-(methoxymethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 121289726
N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-2-(methoxymethyl)benzamide
CID 36886538
N-(3,3-difluoro-2-hydroxypropyl)-2-ethylbenzamide
CID 103820546
N-(6-hydroxyhexyl)-2-(methoxymethyl)benzamide
CID 103919534
N-[(2R)-2-(diethylamino)-2-(furan-2-yl)ethyl]-2-(methoxymethyl)benzamide
CID 94813164
N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]-2-(methoxymethyl)benzamide
CID 111784833

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide (CID 113258914) is N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide is COCc1ccccc1C(=O)NCC(O)C(C)C.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide?
The InChIKey is GQGUDJSJJZGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(2)13(16)8-15-14(17)12-7-5-4-6-11(12)9-18-3/h4-7,10,13,16H,8-9H2,1-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide?
N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide has a molecular weight of 251.33 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-2-(methoxymethyl)benzamide is sourced from PubChem (CID 113258914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).