N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide

C13H19NO5 — CID 66171373

IUPACN-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H19NO5/c1-13(17,8-15)7-14-12(16)11-9(18-2)5-4-6-10(11)19-3/h4-6,15,17H,7-8H2,1-3H3,(H,14,16)
InChIKeyCYDDFAQYEQYUSX-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.18
Rot. Bonds6

About N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide

N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide (PubChem CID 66171373) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
PubChem CID66171373
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC NameN-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)NCC(C)(O)CO
InChIInChI=1S/C13H19NO5/c1-13(17,8-15)7-14-12(16)11-9(18-2)5-4-6-10(11)19-3/h4-6,15,17H,7-8H2,1-3H3,(H,14,16)
InChIKeyCYDDFAQYEQYUSX-UHFFFAOYSA-N
XLogP0.18
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dihydroxybenzamide
CID 107690124
2-amino-N-(2-hydroxy-2-methylbutyl)-6-methoxybenzamide
CID 81420537
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-(2-hydroxy-2-methylpentyl)-2-methoxy-6-nitrobenzamide
CID 106290157
2,6-dimethoxy-N-(2-methyl-2-thiophen-2-ylpropyl)benzamide
CID 110731438
3-[(2-fluoro-6-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66174619
2,6-dimethoxy-N-(2-methoxyethyl)benzamide
CID 4128287
2-hydroxy-N-(2-hydroxy-2-methylpropyl)-3-methoxybenzamide
CID 65109444
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,6-dimethoxybenzamide
CID 106180680
2,6-dimethoxybenzohydrazide
CID 2806104
2-chloro-N-(2,3-dihydroxy-2-methylpropyl)benzamide
CID 66170217

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide?
The IUPAC name of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide (CID 66171373) is N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide.
What is the SMILES notation for N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide?
The canonical SMILES for N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)NCC(C)(O)CO.
What is the InChIKey of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide?
The InChIKey is CYDDFAQYEQYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-13(17,8-15)7-14-12(16)11-9(18-2)5-4-6-10(11)19-3/h4-6,15,17H,7-8H2,1-3H3,(H,14,16).
What are the key properties of N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide?
N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide has a molecular weight of 269.30 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxy-2-methylpropyl)-2,6-dimethoxybenzamide is sourced from PubChem (CID 66171373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).