N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide

C17H27NO3 — CID 106154208

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
SMILESCOCC(CCO)NC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H27NO3/c1-10-11(2)13(4)16(14(5)12(10)3)17(20)18-15(7-8-19)9-21-6/h15,19H,7-9H2,1-6H3,(H,18,20)
InChIKeyWDHAFQDQRJETCF-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.36
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide (PubChem CID 106154208) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
PubChem CID106154208
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide
SMILESCOCC(CCO)NC(=O)c1c(C)c(C)c(C)c(C)c1C
InChIInChI=1S/C17H27NO3/c1-10-11(2)13(4)16(14(5)12(10)3)17(20)18-15(7-8-19)9-21-6/h15,19H,7-9H2,1-6H3,(H,18,20)
InChIKeyWDHAFQDQRJETCF-UHFFFAOYSA-N
XLogP2.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103851120
N-(4-hydroxy-1-methoxybutan-2-yl)-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 103799171
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-6-methoxybenzamide
CID 103850864
N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-4-carboxamide
CID 103799473
N-(4-hydroxy-1-methoxybutan-2-yl)pyrimidine-5-carboxamide
CID 104629797
N-(4-hydroxy-1-methoxybutan-2-yl)-6-methylpyridine-3-carboxamide
CID 103799620
3-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylbenzamide
CID 113264488
4-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 103799241
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
5-ethyl-N-(4-hydroxy-1-methoxybutan-2-yl)-4-methylthiophene-2-carboxamide
CID 103799470

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide (CID 106154208) is N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide is COCC(CCO)NC(=O)c1c(C)c(C)c(C)c(C)c1C.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide?
The InChIKey is WDHAFQDQRJETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-10-11(2)13(4)16(14(5)12(10)3)17(20)18-15(7-8-19)9-21-6/h15,19H,7-9H2,1-6H3,(H,18,20).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-2,3,4,5,6-pentamethylbenzamide is sourced from PubChem (CID 106154208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).