N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide

C14H21NO4 — CID 65114811

IUPACN-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-5-14(2,17)9-15-13(16)11-7-6-10(18-3)8-12(11)19-4/h6-8,17H,5,9H2,1-4H3,(H,15,16)
InChIKeySZXZCILCXQATAI-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.59
Rot. Bonds6

About N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide

N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide (PubChem CID 65114811) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
PubChem CID65114811
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-5-14(2,17)9-15-13(16)11-7-6-10(18-3)8-12(11)19-4/h6-8,17H,5,9H2,1-4H3,(H,15,16)
InChIKeySZXZCILCXQATAI-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2,2-dimethylbutyl)-2,4-dimethoxybenzamide
CID 103772268
2,4-dimethoxy-N-(2-methoxy-2-phenylbutyl)benzamide
CID 90599515
N-(2-hydroxyethyl)-2,4-dimethoxybenzamide
CID 43389009
N-[8-[(2,4-dimethoxybenzoyl)amino]octyl]-2,4-dimethoxybenzamide
CID 3517424
N-[6-[(2,4-dimethoxybenzoyl)amino]hexyl]-2,4-dimethoxybenzamide
CID 4051354
ethyl 3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 47437682
2-[(2,4-dimethoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79814147
1-(2,4-dimethoxyphenyl)-2-ethyl-2-hydroxybutan-1-one
CID 103446903
N-(3-hydroxypropyl)-2,4-dimethoxybenzamide
CID 43390013
N-[3-(ethylamino)propyl]-2,4-dimethoxybenzamide
CID 43601745
N-(2-aminobutyl)-2,4-dimethoxybenzamide
CID 63731362
N-(2-amino-4,4-dimethylpentyl)-2,4-dimethoxybenzamide
CID 107158363

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide (CID 65114811) is N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide is CCC(C)(O)CNC(=O)c1ccc(OC)cc1OC.
What is the InChIKey of N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide?
The InChIKey is SZXZCILCXQATAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-14(2,17)9-15-13(16)11-7-6-10(18-3)8-12(11)19-4/h6-8,17H,5,9H2,1-4H3,(H,15,16).
What are the key properties of N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide?
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide is sourced from PubChem (CID 65114811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).