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

C15H23NO3 — CID 103712693

IUPACN-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO3/c1-11-5-6-12(2)13(9-11)14(17)16-10-15(3,18)7-8-19-4/h5-6,9,18H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyABTUTZKUOIUKFU-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.82
Rot. Bonds6

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

N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide (PubChem CID 103712693) 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)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
PubChem CID103712693
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide
SMILESCOCCC(C)(O)CNC(=O)c1cc(C)ccc1C
InChIInChI=1S/C15H23NO3/c1-11-5-6-12(2)13(9-11)14(17)16-10-15(3,18)7-8-19-4/h5-6,9,18H,7-8,10H2,1-4H3,(H,16,17)
InChIKeyABTUTZKUOIUKFU-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-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
N-(2-hydroxy-2-methylpentyl)-2-methoxy-5-methylbenzamide
CID 103712986
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
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-4-methylbenzoic acid
CID 114165013
5-chloro-N-(2-hydroxy-2-methylpentyl)-2-methylbenzamide
CID 103842862
2-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249207
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2-iodobenzamide
CID 103712714
2-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-5-iodobenzamide
CID 113364210
3-hydroxy-4-[(2-methoxy-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 66001346
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
4-chloro-2,5-difluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103873644

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide (CID 103712693) is N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide is COCCC(C)(O)CNC(=O)c1cc(C)ccc1C.
What is the InChIKey of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide?
The InChIKey is ABTUTZKUOIUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-6-12(2)13(9-11)14(17)16-10-15(3,18)7-8-19-4/h5-6,9,18H,7-8,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-dimethylbenzamide?
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,5-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)-2,5-dimethylbenzamide is sourced from PubChem (CID 103712693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).