N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide

C15H23NO3 — CID 103772341

IUPACN-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC(C)(C)CCO)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,8-9-17)11-16-14(18)13-6-4-12(5-7-13)10-19-3/h4-7,17H,8-11H2,1-3H3,(H,16,18)
InChIKeyDQOJDXBCAKDMNR-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.97
Rot. Bonds7

About N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide

N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide (PubChem CID 103772341) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
PubChem CID103772341
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide
SMILESCOCc1ccc(C(=O)NCC(C)(C)CCO)cc1
InChIInChI=1S/C15H23NO3/c1-15(2,8-9-17)11-16-14(18)13-6-4-12(5-7-13)10-19-3/h4-7,17H,8-11H2,1-3H3,(H,16,18)
InChIKeyDQOJDXBCAKDMNR-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-(methoxymethyl)benzamide
CID 103712392
4-(aminomethyl)-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 106147923
N-(2-amino-2-methylpropyl)-4-(methoxymethyl)benzamide;hydrochloride
CID 119629575
4-[(dimethylamino)methyl]-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 103825036
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methylsulfonylmethyl)benzamide
CID 103772293
N-(2-ethyl-2-hydroxybutyl)-4-(methoxymethyl)benzamide
CID 65112007
2-ethyl-2-[[[4-(methoxymethyl)benzoyl]amino]methyl]butanoic acid
CID 115429725
4-(methoxymethyl)-N-[2-methyl-2-(3-methylphenyl)propyl]benzamide
CID 60599970
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4-(methoxymethyl)benzamide
CID 111452317
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
4-chloro-N-[2-[(4-hydroxy-2,2-dimethylbutyl)amino]-2-oxoethyl]benzamide
CID 103825506

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide?
The IUPAC name of N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide (CID 103772341) is N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide.
What is the SMILES notation for N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide?
The canonical SMILES for N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide is COCc1ccc(C(=O)NCC(C)(C)CCO)cc1.
What is the InChIKey of N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide?
The InChIKey is DQOJDXBCAKDMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,8-9-17)11-16-14(18)13-6-4-12(5-7-13)10-19-3/h4-7,17H,8-11H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide?
N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,2-dimethylbutyl)-4-(methoxymethyl)benzamide is sourced from PubChem (CID 103772341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).