N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide

C14H21NO4 — CID 115701620

IUPACN-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC(O)C(C)C)c1
InChIInChI=1S/C14H21NO4/c1-9(2)12(16)8-15-14(17)11-7-10(18-3)5-6-13(11)19-4/h5-7,9,12,16H,8H2,1-4H3,(H,15,17)
InChIKeyMJRIBFCEGMMASD-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.45
Rot. Bonds6

About N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide

N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide (PubChem CID 115701620) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
PubChem CID115701620
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide
SMILESCOc1ccc(OC)c(C(=O)NCC(O)C(C)C)c1
InChIInChI=1S/C14H21NO4/c1-9(2)12(16)8-15-14(17)11-7-10(18-3)5-6-13(11)19-4/h5-7,9,12,16H,8H2,1-4H3,(H,15,17)
InChIKeyMJRIBFCEGMMASD-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-2,5-dimethoxybenzamide
CID 63731879
4-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 81063117
2,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 8624150
N-(2-amino-4-methylpentyl)-2,5-dimethoxybenzamide
CID 107158831
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
(2S)-2-[(2,5-dimethoxybenzoyl)amino]-3-methylbutanoic acid
CID 61137607
2,5-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18189798
N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide
CID 115884302
2,5-dimethoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 110761096
N-(4-hydroxybutyl)-2,5-dimethoxybenzamide
CID 106843793
N-(2-bromoprop-2-enyl)-2,5-dimethoxybenzamide
CID 47439309
3-[(2,5-dimethoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81368930

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide?
The IUPAC name of N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide (CID 115701620) is N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide.
What is the SMILES notation for N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide?
The canonical SMILES for N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide is COc1ccc(OC)c(C(=O)NCC(O)C(C)C)c1.
What is the InChIKey of N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide?
The InChIKey is MJRIBFCEGMMASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(2)12(16)8-15-14(17)11-7-10(18-3)5-6-13(11)19-4/h5-7,9,12,16H,8H2,1-4H3,(H,15,17).
What are the key properties of N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide?
N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide has a molecular weight of 267.32 g/mol, XLogP of 1.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methylbutyl)-2,5-dimethoxybenzamide is sourced from PubChem (CID 115701620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).