2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide

C20H26N2O3 — CID 25158221

IUPAC2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide
SMILESCCC(CO)Oc1cccc(Nc2c(C)cc(C)cc2C)c1C(N)=O
InChIInChI=1S/C20H26N2O3/c1-5-15(11-23)25-17-8-6-7-16(18(17)20(21)24)22-19-13(3)9-12(2)10-14(19)4/h6-10,15,22-23H,5,11H2,1-4H3,(H2,21,24)
InChIKeyKIDNWXWVNYQSSJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.60
Rot. Bonds7

About 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide

2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide (PubChem CID 25158221) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide.

Molecular Properties

Compound Name2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide
PubChem CID25158221
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide
SMILESCCC(CO)Oc1cccc(Nc2c(C)cc(C)cc2C)c1C(N)=O
InChIInChI=1S/C20H26N2O3/c1-5-15(11-23)25-17-8-6-7-16(18(17)20(21)24)22-19-13(3)9-12(2)10-14(19)4/h6-10,15,22-23H,5,11H2,1-4H3,(H2,21,24)
InChIKeyKIDNWXWVNYQSSJ-UHFFFAOYSA-N
XLogP3.60
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-pentan-3-yloxy-4-N-(2,4,6-trimethylphenyl)pyridine-3,4-diamine
CID 22291304
3-(aminomethyl)-6-methyl-2-pentan-3-yloxy-N-(2,4,6-trimethylphenyl)pyridin-4-amine
CID 142655771
2-[[(2S)-2-(3,5-dimethylphenoxy)butanoyl]amino]benzamide
CID 99133293
1-phenyl-2-(2,4,6-trimethylanilino)butan-1-one
CID 162415494
N-methyl-2-(2,3,5-trimethylphenoxy)butan-1-amine
CID 62484244
3-[2-(2,5-dimethylphenoxy)butanoylamino]-2-methylbenzamide
CID 53284293
N-methyl-2-(2,4,6-trimethylanilino)benzamide
CID 67997088
N-(2-propan-2-yloxyphenyl)-N'-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 54805651
1,2-dimethyl-3-pentan-3-yloxybenzene
CID 103432359
2-phenoxypentaneperoxoic acid
CID 18459699
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
2-(4-methylphenoxy)-N-(2,4,6-trimethylphenyl)butanamide
CID 4949931

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide?
The IUPAC name of 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide (CID 25158221) is 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide.
What is the SMILES notation for 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide?
The canonical SMILES for 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide is CCC(CO)Oc1cccc(Nc2c(C)cc(C)cc2C)c1C(N)=O.
What is the InChIKey of 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide?
The InChIKey is KIDNWXWVNYQSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-15(11-23)25-17-8-6-7-16(18(17)20(21)24)22-19-13(3)9-12(2)10-14(19)4/h6-10,15,22-23H,5,11H2,1-4H3,(H2,21,24).
What are the key properties of 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide?
2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxybutan-2-yloxy)-6-(2,4,6-trimethylanilino)benzamide is sourced from PubChem (CID 25158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).