3-methoxy-N-(2,4,4-trimethylhexyl)benzamide

C17H27NO2 — CID 134270761

IUPAC3-methoxy-N-(2,4,4-trimethylhexyl)benzamide
SMILESCCC(C)(C)CC(C)CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-6-17(3,4)11-13(2)12-18-16(19)14-8-7-9-15(10-14)20-5/h7-10,13H,6,11-12H2,1-5H3,(H,18,19)
InChIKeyNAARZRVYQYMZEZ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.89
Rot. Bonds7

About 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide

3-methoxy-N-(2,4,4-trimethylhexyl)benzamide (PubChem CID 134270761) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2,4,4-trimethylhexyl)benzamide
PubChem CID134270761
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-methoxy-N-(2,4,4-trimethylhexyl)benzamide
SMILESCCC(C)(C)CC(C)CNC(=O)c1cccc(OC)c1
InChIInChI=1S/C17H27NO2/c1-6-17(3,4)11-13(2)12-18-16(19)14-8-7-9-15(10-14)20-5/h7-10,13H,6,11-12H2,1-5H3,(H,18,19)
InChIKeyNAARZRVYQYMZEZ-UHFFFAOYSA-N
XLogP3.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide?
The IUPAC name of 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide (CID 134270761) is 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide?
The canonical SMILES for 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide is CCC(C)(C)CC(C)CNC(=O)c1cccc(OC)c1.
What is the InChIKey of 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide?
The InChIKey is NAARZRVYQYMZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-6-17(3,4)11-13(2)12-18-16(19)14-8-7-9-15(10-14)20-5/h7-10,13H,6,11-12H2,1-5H3,(H,18,19).
What are the key properties of 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide?
3-methoxy-N-(2,4,4-trimethylhexyl)benzamide has a molecular weight of 277.41 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2,4,4-trimethylhexyl)benzamide is sourced from PubChem (CID 134270761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).