N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide

C15H23NO3 — CID 103895621

IUPACN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)(C)C(C)(C)O)ccc1C
InChIInChI=1S/C15H23NO3/c1-10-7-8-11(9-12(10)19-6)13(17)16-14(2,3)15(4,5)18/h7-9,18H,1-6H3,(H,16,17)
InChIKeyBYIOAFDCIWDUPT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.28
Rot. Bonds4

About N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide

N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide (PubChem CID 103895621) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
PubChem CID103895621
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide
SMILESCOc1cc(C(=O)NC(C)(C)C(C)(C)O)ccc1C
InChIInChI=1S/C15H23NO3/c1-10-7-8-11(9-12(10)19-6)13(17)16-14(2,3)15(4,5)18/h7-9,18H,1-6H3,(H,16,17)
InChIKeyBYIOAFDCIWDUPT-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103895299
N-(1-bromo-2-methylbutan-2-yl)-3-methoxy-4-methylbenzamide
CID 114314575
N-[3-(bromomethyl)pentan-3-yl]-3-methoxy-4-methylbenzamide
CID 113275847
N-(1-amino-2-cyclopropylpropan-2-yl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119572342
N-(2-aminoethyl)-3-methoxy-4-methylbenzamide
CID 18071038
3-methoxy-4-methyl-N-(4-methylphenyl)benzamide
CID 9071746
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
2-[4-[(3-methoxy-4-methylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119253822
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
methyl 3-[(3-methoxy-4-methylbenzoyl)amino]-4-methylbenzoate
CID 16604939
N-(2-amino-4,5-dimethylphenyl)-3-methoxy-4-methylbenzamide
CID 62099101
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzamide
CID 113347731

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?
The IUPAC name of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide (CID 103895621) is N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?
The canonical SMILES for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide is COc1cc(C(=O)NC(C)(C)C(C)(C)O)ccc1C.
What is the InChIKey of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?
The InChIKey is BYIOAFDCIWDUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-7-8-11(9-12(10)19-6)13(17)16-14(2,3)15(4,5)18/h7-9,18H,1-6H3,(H,16,17).
What are the key properties of N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide?
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-methoxy-4-methylbenzamide is sourced from PubChem (CID 103895621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).