4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide

C16H25NO2 — CID 152892034

IUPAC4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC(C)(C)CCC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-11-16(3,4)19-14-8-6-13(7-9-14)15(18)17-5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyUDQBGNVQZIRWAE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.64
Rot. Bonds6

About 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide

4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide (PubChem CID 152892034) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide.

Molecular Properties

Compound Name4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide
PubChem CID152892034
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide
SMILESCNC(=O)c1ccc(OC(C)(C)CCC(C)C)cc1
InChIInChI=1S/C16H25NO2/c1-12(2)10-11-16(3,4)19-14-8-6-13(7-9-14)15(18)17-5/h6-9,12H,10-11H2,1-5H3,(H,17,18)
InChIKeyUDQBGNVQZIRWAE-UHFFFAOYSA-N
XLogP3.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-4-(4-hydroxy-2-methylbutan-2-yl)oxybenzamide
CID 134534514
N-methyl-4-(5-methylhexan-2-ylamino)benzamide
CID 43683632
4-(trifluoromethoxy)-N-[8-[[4-(trifluoromethoxy)benzoyl]amino]nonan-2-yl]benzamide
CID 21452885
N-(tert-butylcarbamothioyl)-4-(3-methylbutoxy)benzamide
CID 4949020
N-methyl-4-[2-(methylamino)ethoxy]benzamide
CID 19915722
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
4-[2-(4-tert-butylphenoxy)propanoylamino]-N-methylbenzamide
CID 43888226
[4-(methylcarbamoyl)phenoxy]boronic acid
CID 139843165
[4-(methylcarbamoyl)phenyl] carbamate
CID 20789580
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
4-[(3-methoxy-3-methylbutyl)amino]-N-propan-2-ylbenzamide
CID 102975760
N-butan-2-yl-4-(3-methylbutoxy)benzamide
CID 17137403

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide?
The IUPAC name of 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide (CID 152892034) is 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide.
What is the SMILES notation for 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide?
The canonical SMILES for 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide is CNC(=O)c1ccc(OC(C)(C)CCC(C)C)cc1.
What is the InChIKey of 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide?
The InChIKey is UDQBGNVQZIRWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)10-11-16(3,4)19-14-8-6-13(7-9-14)15(18)17-5/h6-9,12H,10-11H2,1-5H3,(H,17,18).
What are the key properties of 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide?
4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide has a molecular weight of 263.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylhexan-2-yloxy)-N-methylbenzamide is sourced from PubChem (CID 152892034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).