3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide

C14H20BrNO4 — CID 103712520

IUPAC3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H20BrNO4/c1-14(18,6-7-19-2)9-16-13(17)10-4-5-12(20-3)11(15)8-10/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyZZXZBZJWDDMRES-UHFFFAOYSA-N
MW346.22 g/mol
LogP1.98
Rot. Bonds7

About 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide

3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide (PubChem CID 103712520) has the molecular formula C14H20BrNO4 and a molecular weight of 346.22 g/mol. Its IUPAC name is 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
PubChem CID103712520
Molecular FormulaC14H20BrNO4
Molecular Weight346.22 g/mol
Exact Mass345.06
IUPAC Name3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide
SMILESCOCCC(C)(O)CNC(=O)c1ccc(OC)c(Br)c1
InChIInChI=1S/C14H20BrNO4/c1-14(18,6-7-19-2)9-16-13(17)10-4-5-12(20-3)11(15)8-10/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17)
InChIKeyZZXZBZJWDDMRES-UHFFFAOYSA-N
XLogP1.98
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-hydroxy-2-methylpentyl)-4-methoxybenzamide
CID 103713122
3,4-dihydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103957337
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybenzamide
CID 60682140
4-amino-3-hydroxy-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249241
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzenesulfonamide
CID 103834939
3-bromo-N-(3,3-dimethyl-2-oxobutyl)-4-methoxybenzamide
CID 64991980
4-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 103712736
3-fluoro-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methylbenzamide
CID 103712284
3-amino-N-(2-hydroxy-4-methoxy-2-methylbutyl)benzamide
CID 106249245
N-(2-hydroxy-4-methoxy-2-methylbutyl)quinoxaline-6-carboxamide
CID 103712673

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide (CID 103712520) is 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide is COCCC(C)(O)CNC(=O)c1ccc(OC)c(Br)c1.
What is the InChIKey of 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide?
The InChIKey is ZZXZBZJWDDMRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO4/c1-14(18,6-7-19-2)9-16-13(17)10-4-5-12(20-3)11(15)8-10/h4-5,8,18H,6-7,9H2,1-3H3,(H,16,17).
What are the key properties of 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide?
3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide has a molecular weight of 346.22 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-hydroxy-4-methoxy-2-methylbutyl)-4-methoxybenzamide is sourced from PubChem (CID 103712520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).