N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide

C14H21NO4 — CID 115884302

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC(C)(C)C(C)O)c1
InChIInChI=1S/C14H21NO4/c1-9(16)14(2,3)15-13(17)11-8-10(18-4)6-7-12(11)19-5/h6-9,16H,1-5H3,(H,15,17)
InChIKeyAZAIGWNLORQSCP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.59
Rot. Bonds5

About N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide

N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide (PubChem CID 115884302) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide
PubChem CID115884302
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NC(C)(C)C(C)O)c1
InChIInChI=1S/C14H21NO4/c1-9(16)14(2,3)15-13(17)11-8-10(18-4)6-7-12(11)19-5/h6-9,16H,1-5H3,(H,15,17)
InChIKeyAZAIGWNLORQSCP-UHFFFAOYSA-N
XLogP1.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Analyze N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
3-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 64672701
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
CID 115701620
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2,5-dimethoxybenzamide
CID 107867479
1-(2,5-dimethoxyphenyl)-2-(propan-2-ylamino)propan-1-one
CID 82101101
N-but-3-yn-2-yl-2,5-dimethoxybenzamide
CID 114389664
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
2,5-dimethoxy-N-(4-methoxyphenyl)benzamide
CID 8574615

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide (CID 115884302) is N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NC(C)(C)C(C)O)c1.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide?
The InChIKey is AZAIGWNLORQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(16)14(2,3)15-13(17)11-8-10(18-4)6-7-12(11)19-5/h6-9,16H,1-5H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide?
N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 115884302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).