5-methyl-2-(methylamino)-N-octan-4-ylbenzamide

C17H28N2O — CID 106027859

IUPAC5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(C)ccc1NC
InChIInChI=1S/C17H28N2O/c1-5-7-9-14(8-6-2)19-17(20)15-12-13(3)10-11-16(15)18-4/h10-12,14,18H,5-9H2,1-4H3,(H,19,20)
InChIKeyMJYSKWSMMDEPJP-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.13
Rot. Bonds8

About 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide

5-methyl-2-(methylamino)-N-octan-4-ylbenzamide (PubChem CID 106027859) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
PubChem CID106027859
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(C)ccc1NC
InChIInChI=1S/C17H28N2O/c1-5-7-9-14(8-6-2)19-17(20)15-12-13(3)10-11-16(15)18-4/h10-12,14,18H,5-9H2,1-4H3,(H,19,20)
InChIKeyMJYSKWSMMDEPJP-UHFFFAOYSA-N
XLogP4.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
N-heptan-2-yl-5-methyl-2-(methylamino)benzamide
CID 62509942
2-amino-4-methyl-N-octan-4-ylbenzamide
CID 106027828
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
CID 106025859
N-(1-cyclopropylbutan-2-yl)-5-methyl-2-(methylamino)benzamide
CID 63994027
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027972
4-hydrazinyl-N-octan-4-ylpyridine-3-carboxamide
CID 114138357
4-(ethylamino)-3-methyl-N-octan-4-ylbenzamide
CID 106027950
4-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027853
5-methyl-2-(methylamino)-N-(3-methylbutyl)benzamide
CID 55083223

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide?
The IUPAC name of 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide (CID 106027859) is 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide.
What is the SMILES notation for 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide?
The canonical SMILES for 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1cc(C)ccc1NC.
What is the InChIKey of 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide?
The InChIKey is MJYSKWSMMDEPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-9-14(8-6-2)19-17(20)15-12-13(3)10-11-16(15)18-4/h10-12,14,18H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide?
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 4.13, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(methylamino)-N-octan-4-ylbenzamide is sourced from PubChem (CID 106027859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).