N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide

C15H23NO4 — CID 106180680

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H23NO4/c1-14(2,15(3,4)18)16-13(17)12-10(19-5)8-7-9-11(12)20-6/h7-9,18H,1-6H3,(H,16,17)
InChIKeyVJPVUDYNRJKMIC-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.98
Rot. Bonds5

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide (PubChem CID 106180680) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
PubChem CID106180680
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NC(C)(C)C(C)(C)O
InChIInChI=1S/C15H23NO4/c1-14(2,15(3,4)18)16-13(17)12-10(19-5)8-7-9-11(12)20-6/h7-9,18H,1-6H3,(H,16,17)
InChIKeyVJPVUDYNRJKMIC-UHFFFAOYSA-N
XLogP1.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)-2,6-dimethoxybenzamide
CID 113274115
2,6-dimethoxy-N-(2-phenylpropan-2-yl)benzamide
CID 113091730
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 103895621
4-[(2,6-dimethoxybenzoyl)amino]-4-methylpentanoic acid
CID 62041534
2,6-dimethoxybenzohydrazide
CID 2806104
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
CID 66171373
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
N-ethanethioyl-2,6-dimethoxybenzamide
CID 849614
N-[4-[[2-(tert-butylamino)acetyl]amino]phenyl]-2,6-dimethoxybenzamide
CID 139887384
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
methyl 2-iodo-6-methoxybenzoate
CID 91882308

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide (CID 106180680) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NC(C)(C)C(C)(C)O.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide?
The InChIKey is VJPVUDYNRJKMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-14(2,15(3,4)18)16-13(17)12-10(19-5)8-7-9-11(12)20-6/h7-9,18H,1-6H3,(H,16,17).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 106180680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).