N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide

C14H21NO3 — CID 104938816

IUPACN-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cc(O)cc(O)c1)C(C)(C)C
InChIInChI=1S/C14H21NO3/c1-9(14(2,3)4)15(5)13(18)10-6-11(16)8-12(17)7-10/h6-9,16-17H,1-5H3
InChIKeyGMWKCEISGMCKPX-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.60
Rot. Bonds2

About N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide

N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide (PubChem CID 104938816) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
PubChem CID104938816
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide
SMILESCC(N(C)C(=O)c1cc(O)cc(O)c1)C(C)(C)C
InChIInChI=1S/C14H21NO3/c1-9(14(2,3)4)15(5)13(18)10-6-11(16)8-12(17)7-10/h6-9,16-17H,1-5H3
InChIKeyGMWKCEISGMCKPX-UHFFFAOYSA-N
XLogP2.60
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 60939876
3,5-dihydroxy-N,N-dimethylbenzamide
CID 103893165
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619
N-(3,3-dimethylbutan-2-yl)-N-methyl-4-methylsulfonylbenzamide
CID 42951899
3-(2-aminoethyl)-N-(3,3-dimethylbutan-2-yl)-N-methylbenzamide
CID 55091096
N-(3,3-dimethylbutan-2-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55009248
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-5-fluorosulfonyloxypyridine
CID 154880984
N-(3-chlorobutyl)-3,5-dihydroxy-N-methylbenzamide
CID 107706167
N-(3,3-dimethylbutan-2-yl)-6-(ethylamino)-N-methylpyridine-3-carboxamide
CID 62180470
N-butan-2-yl-N-ethyl-3,5-dihydroxybenzamide
CID 107703652
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide (CID 104938816) is N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide is CC(N(C)C(=O)c1cc(O)cc(O)c1)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide?
The InChIKey is GMWKCEISGMCKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(14(2,3)4)15(5)13(18)10-6-11(16)8-12(17)7-10/h6-9,16-17H,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide?
N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 104938816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).