N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide

C15H23NO4 — CID 103844616

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C15H23NO4/c1-4-15(5-2,10-17)9-16-14(19)12-7-6-11(20-3)8-13(12)18/h6-8,17-18H,4-5,9-10H2,1-3H3,(H,16,19)
InChIKeyXHAQPFYVBKEUQX-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.93
Rot. Bonds7

About N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide (PubChem CID 103844616) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
PubChem CID103844616
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide
SMILESCCC(CC)(CO)CNC(=O)c1ccc(OC)cc1O
InChIInChI=1S/C15H23NO4/c1-4-15(5-2,10-17)9-16-14(19)12-7-6-11(20-3)8-13(12)18/h6-8,17-18H,4-5,9-10H2,1-3H3,(H,16,19)
InChIKeyXHAQPFYVBKEUQX-UHFFFAOYSA-N
XLogP1.93
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
CID 103843624
N-(5-bromo-2,2-dimethylpentyl)-2-hydroxy-4-methoxybenzamide
CID 106145403
2-hydroxy-4-methoxy-N-(2-methyl-2-piperidin-1-ylpropyl)benzamide
CID 51186865
2-hydroxy-4-methoxy-N-(2-methylprop-2-enyl)benzamide
CID 114617408
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
N-(3-amino-2-hydroxy-3-oxopropyl)-2-hydroxy-4-methoxybenzamide
CID 107261323
N-(3-cyanopentan-3-yl)-2-hydroxy-4-methoxybenzamide
CID 61120396
2-hydroxy-4-methoxy-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 47415526
4-chloro-N-[2-(chloromethyl)-2-ethylbutyl]-2-hydroxybenzamide
CID 106253885
N-(1-chloro-2-methylbutan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 114303621
2-hydroxy-4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzamide
CID 83039381

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide (CID 103844616) is N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide is CCC(CC)(CO)CNC(=O)c1ccc(OC)cc1O.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide?
The InChIKey is XHAQPFYVBKEUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-15(5-2,10-17)9-16-14(19)12-7-6-11(20-3)8-13(12)18/h6-8,17-18H,4-5,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-2-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 103844616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).