N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide

C12H17NO3 — CID 107689068

IUPACN-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO3/c1-4-8(2)13(3)12(16)11-9(14)6-5-7-10(11)15/h5-8,14-15H,4H2,1-3H3
InChIKeyCZPJRWLAPYDLFI-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.97
Rot. Bonds3

About N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide

N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide (PubChem CID 107689068) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
PubChem CID107689068
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-butan-2-yl-2,6-dihydroxy-N-methylbenzamide
SMILESCCC(C)N(C)C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO3/c1-4-8(2)13(3)12(16)11-9(14)6-5-7-10(11)15/h5-8,14-15H,4H2,1-3H3
InChIKeyCZPJRWLAPYDLFI-UHFFFAOYSA-N
XLogP1.97
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dihydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 107689562
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
N-butan-2-yl-4-hydroxy-N-methylbenzamide
CID 43273177
N-ethyl-2,6-dihydroxy-N-propan-2-ylbenzamide
CID 107689061
N-butan-2-yl-N-methyl-2-sulfamoylbenzamide
CID 43273244
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
2,6-dihydroxy-N-propan-2-yl-N-propylbenzamide
CID 107689064
2-amino-N-butan-2-yl-3-fluoro-N-methylbenzamide
CID 62650764
N-(1-bromopropan-2-yl)-2,6-dichloro-N-methylbenzamide
CID 104556293
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
4-amino-N-butan-2-yl-N-methylbenzamide
CID 43272431
N-butan-2-yl-2,6-difluoro-N-methyl-3-sulfamoylbenzamide
CID 63374555

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide?
The IUPAC name of N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide (CID 107689068) is N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide is CCC(C)N(C)C(=O)c1c(O)cccc1O.
What is the InChIKey of N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide?
The InChIKey is CZPJRWLAPYDLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-4-8(2)13(3)12(16)11-9(14)6-5-7-10(11)15/h5-8,14-15H,4H2,1-3H3.
What are the key properties of N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide?
N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,6-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107689068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).