N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide

C14H21NO4 — CID 97254551

IUPACN-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)(C)[C@@H](C)O)c1OC
InChIInChI=1S/C14H21NO4/c1-9(16)14(2,3)15-13(17)10-7-6-8-11(18-4)12(10)19-5/h6-9,16H,1-5H3,(H,15,17)/t9-/m1/s1
InChIKeyULDAYWBYXWMZSY-SECBINFHSA-N
MW267.32 g/mol
LogP1.59
Rot. Bonds5

About N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide

N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide (PubChem CID 97254551) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
PubChem CID97254551
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC NameN-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)NC(C)(C)[C@@H](C)O)c1OC
InChIInChI=1S/C14H21NO4/c1-9(16)14(2,3)15-13(17)10-7-6-8-11(18-4)12(10)19-5/h6-9,16H,1-5H3,(H,15,17)/t9-/m1/s1
InChIKeyULDAYWBYXWMZSY-SECBINFHSA-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

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Related Compounds

N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254550
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-2,3-dimethoxybenzamide
CID 61120213
2,3-dimethoxy-N-sulfanylbenzamide
CID 71771535
N-(3-hydroxy-2-methylbutan-2-yl)-2,5-dimethoxybenzamide
CID 115884302
N-(3-hydroxy-2-methylbutan-2-yl)-2,4-dimethoxybenzamide
CID 115884461
N-(1-amino-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 64550717
N-(1-chloro-2-methylbutan-2-yl)-2,3-dimethoxybenzamide
CID 113273131
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
N-(2-hydroxy-2-methylpropyl)-2,3-dimethoxybenzamide
CID 65110006
N-(2-amino-2-methylpropyl)-2,3-dimethoxybenzamide;hydrochloride
CID 119630210
3-[(2,3-dimethoxybenzoyl)amino]butanoic acid
CID 43240642
2,3-dimethoxy-N-[(2R)-4-methylpentan-2-yl]benzamide
CID 837030

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide (CID 97254551) is N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)NC(C)(C)[C@@H](C)O)c1OC.
What is the InChIKey of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide?
The InChIKey is ULDAYWBYXWMZSY-SECBINFHSA-N. The full InChI is InChI=1S/C14H21NO4/c1-9(16)14(2,3)15-13(17)10-7-6-8-11(18-4)12(10)19-5/h6-9,16H,1-5H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide?
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-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-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide is sourced from PubChem (CID 97254551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).