4-amino-3-methyl-N-octylbenzamide

C16H26N2O — CID 115565914

IUPAC4-amino-3-methyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-8-11-18-16(19)14-9-10-15(17)13(2)12-14/h9-10,12H,3-8,11,17H2,1-2H3,(H,18,19)
InChIKeyGUJMRLYSTBFFBB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.67
Rot. Bonds8

About 4-amino-3-methyl-N-octylbenzamide

4-amino-3-methyl-N-octylbenzamide (PubChem CID 115565914) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-amino-3-methyl-N-octylbenzamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-octylbenzamide
PubChem CID115565914
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name4-amino-3-methyl-N-octylbenzamide
SMILESCCCCCCCCNC(=O)c1ccc(N)c(C)c1
InChIInChI=1S/C16H26N2O/c1-3-4-5-6-7-8-11-18-16(19)14-9-10-15(17)13(2)12-14/h9-10,12H,3-8,11,17H2,1-2H3,(H,18,19)
InChIKeyGUJMRLYSTBFFBB-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3,4-diamino-N-dodecylbenzamide
CID 22411166
N-hexyl-3,4-dimethylbenzamide
CID 4523484
4-amino-N-dodecyl-3-hydroxybenzamide
CID 22411110
4-amino-N-(5-amino-5-oxopentyl)-3-methylbenzamide
CID 106233185
4-amino-N-[4-(diethylamino)butyl]-3-methylbenzamide
CID 110486010
3-amino-4-fluoro-N-octylbenzamide
CID 115565836
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
3-amino-4-ethoxy-N-hexylbenzamide
CID 61112297
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
4-bromo-N-hexadecylbenzamide
CID 54791037
3,5-diamino-N-hexadecylbenzamide
CID 54469516
3-amino-N-hexadecylbenzamide;hydrochloride
CID 45049404

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-octylbenzamide?
The IUPAC name of 4-amino-3-methyl-N-octylbenzamide (CID 115565914) is 4-amino-3-methyl-N-octylbenzamide.
What is the SMILES notation for 4-amino-3-methyl-N-octylbenzamide?
The canonical SMILES for 4-amino-3-methyl-N-octylbenzamide is CCCCCCCCNC(=O)c1ccc(N)c(C)c1.
What is the InChIKey of 4-amino-3-methyl-N-octylbenzamide?
The InChIKey is GUJMRLYSTBFFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-5-6-7-8-11-18-16(19)14-9-10-15(17)13(2)12-14/h9-10,12H,3-8,11,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-3-methyl-N-octylbenzamide?
4-amino-3-methyl-N-octylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.67, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-octylbenzamide is sourced from PubChem (CID 115565914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).