2-(3,5-dihydroxyphenyl)-N-methylacetamide

C9H11NO3 — CID 90280420

IUPAC2-(3,5-dihydroxyphenyl)-N-methylacetamide
SMILESCNC(=O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C9H11NO3/c1-10-9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,11-12H,4H2,1H3,(H,10,13)
InChIKeyNOVZHIYRLBPWOF-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.39
Rot. Bonds2

About 2-(3,5-dihydroxyphenyl)-N-methylacetamide

2-(3,5-dihydroxyphenyl)-N-methylacetamide (PubChem CID 90280420) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(3,5-dihydroxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dihydroxyphenyl)-N-methylacetamide
PubChem CID90280420
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(3,5-dihydroxyphenyl)-N-methylacetamide
SMILESCNC(=O)Cc1cc(O)cc(O)c1
InChIInChI=1S/C9H11NO3/c1-10-9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,11-12H,4H2,1H3,(H,10,13)
InChIKeyNOVZHIYRLBPWOF-UHFFFAOYSA-N
XLogP0.39
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,5-bis(trifluoromethyl)phenyl]-N-methylacetamide
CID 22370523
2-(4-ethylphenyl)-N-methylacetamide
CID 56921087
3-[(3-fluoro-5-hydroxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 104881358
2-[4-(aminomethyl)phenyl]-N-methylacetamide
CID 23301882
2-[4-[1-(3-hydroxyphenyl)ethylamino]phenyl]-N-methylacetamide
CID 43714113
2-(3-iodophenyl)-N-methylacetamide
CID 130614224
4-[2-(methylamino)-2-oxoethyl]benzoic acid
CID 139022603
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-(4-tert-butylphenyl)-N-methylacetamide;molecular hydrogen
CID 176700295
acetic acid;benzene-1,3,5-triol
CID 53443381
[2-acetyloxy-4-[2-(methylamino)-2-oxoethyl]phenyl] acetate
CID 139641556
N-methyl-2-(4-nitrophenyl)acetamide
CID 3389164

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydroxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dihydroxyphenyl)-N-methylacetamide (CID 90280420) is 2-(3,5-dihydroxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dihydroxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dihydroxyphenyl)-N-methylacetamide is CNC(=O)Cc1cc(O)cc(O)c1.
What is the InChIKey of 2-(3,5-dihydroxyphenyl)-N-methylacetamide?
The InChIKey is NOVZHIYRLBPWOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10-9(13)4-6-2-7(11)5-8(12)3-6/h2-3,5,11-12H,4H2,1H3,(H,10,13).
What are the key properties of 2-(3,5-dihydroxyphenyl)-N-methylacetamide?
2-(3,5-dihydroxyphenyl)-N-methylacetamide has a molecular weight of 181.19 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydroxyphenyl)-N-methylacetamide is sourced from PubChem (CID 90280420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).