3,5-dihydroxy-N,N-dimethylbenzamide

C9H11NO3 — CID 103893165

IUPAC3,5-dihydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H11NO3/c1-10(2)9(13)6-3-7(11)5-8(12)4-6/h3-5,11-12H,1-2H3
InChIKeyCFICBWWMHSMTDZ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.80
Rot. Bonds1

About 3,5-dihydroxy-N,N-dimethylbenzamide

3,5-dihydroxy-N,N-dimethylbenzamide (PubChem CID 103893165) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 3,5-dihydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N,N-dimethylbenzamide
PubChem CID103893165
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name3,5-dihydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cc(O)cc(O)c1
InChIInChI=1S/C9H11NO3/c1-10(2)9(13)6-3-7(11)5-8(12)4-6/h3-5,11-12H,1-2H3
InChIKeyCFICBWWMHSMTDZ-UHFFFAOYSA-N
XLogP0.80
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N,N-dimethyl-5-nitrobenzamide
CID 124705788
5-(dimethylcarbamoyl)benzene-1,3-dicarboxylic acid
CID 70359048
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-methylbenzamide
CID 104939111
N,N-dimethylmethanamine;4-hydroxy-N,N-dimethylbenzamide
CID 143686918
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
CID 104938816
3,5-dihydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735650
N-[2-(dimethylcarbamoylamino)ethyl]-3,5-dihydroxybenzamide
CID 108575005
4-(4-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53218656
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
N-(2-cyanoethyl)-3,5-dihydroxy-N-methylbenzamide
CID 103892231
3,5-dihydroxy-N-methyl-N-(2-methylphenyl)benzamide
CID 107703877
N-(2-fluorophenyl)-3,5-dihydroxy-N-methylbenzamide
CID 107703878

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3,5-dihydroxy-N,N-dimethylbenzamide (CID 103893165) is 3,5-dihydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3,5-dihydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3,5-dihydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N,N-dimethylbenzamide?
The InChIKey is CFICBWWMHSMTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(2)9(13)6-3-7(11)5-8(12)4-6/h3-5,11-12H,1-2H3.
What are the key properties of 3,5-dihydroxy-N,N-dimethylbenzamide?
3,5-dihydroxy-N,N-dimethylbenzamide has a molecular weight of 181.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 103893165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).