N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide

C15H23NO4 — CID 103712392

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C15H23NO4/c1-15(18,8-9-19-2)11-16-14(17)13-6-4-12(5-7-13)10-20-3/h4-7,18H,8-11H2,1-3H3,(H,16,17)
InChIKeyLNJKVOSCSGMQCO-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.35
Rot. Bonds8

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide (PubChem CID 103712392) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
PubChem CID103712392
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(COC)cc1
InChIInChI=1S/C15H23NO4/c1-15(18,8-9-19-2)11-16-14(17)13-6-4-12(5-7-13)10-20-3/h4-7,18H,8-11H2,1-3H3,(H,16,17)
InChIKeyLNJKVOSCSGMQCO-UHFFFAOYSA-N
XLogP1.35
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
CID 103772341
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
CID 103712743
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
CID 103712520

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide (CID 103712392) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide is COCCC(C)(O)CNC(=O)c1ccc(COC)cc1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide?
The InChIKey is LNJKVOSCSGMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(18,8-9-19-2)11-16-14(17)13-6-4-12(5-7-13)10-20-3/h4-7,18H,8-11H2,1-3H3,(H,16,17).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide has a molecular weight of 281.35 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 103712392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).