N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide

C15H23NO3 — CID 103712743

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO3/c1-11-7-12(2)9-13(8-11)14(17)16-10-15(3,18)5-6-19-4/h7-9,18H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyQPBBAULHDAHGHC-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.82
Rot. Bonds6

About N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide

N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide (PubChem CID 103712743) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
PubChem CID103712743
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C15H23NO3/c1-11-7-12(2)9-13(8-11)14(17)16-10-15(3,18)5-6-19-4/h7-9,18H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyQPBBAULHDAHGHC-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-2,2-dimethylbutyl)-3,5-dimethylbenzamide
CID 122141755
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
CID 103712693
N-(2-hydroxy-4-methoxy-2-methylbutyl)-1H-pyrazole-4-carboxamide
CID 103712317
N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
3-chloro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-nitrobenzamide
CID 103712108
3-[(3,5-dimethylbenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66171951
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide (CID 103712743) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide is COCCC(C)(O)CNC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide?
The InChIKey is QPBBAULHDAHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-7-12(2)9-13(8-11)14(17)16-10-15(3,18)5-6-19-4/h7-9,18H,5-6,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methoxy-2-methylbutyl)-3,5-dimethylbenzamide is sourced from PubChem (CID 103712743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).