2-amino-4-methyl-N-octan-4-ylbenzamide

C16H26N2O — CID 106027828

IUPAC2-amino-4-methyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(C)cc1N
InChIInChI=1S/C16H26N2O/c1-4-6-8-13(7-5-2)18-16(19)14-10-9-12(3)11-15(14)17/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyMDDDVGKHPDCBFC-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.67
Rot. Bonds7

About 2-amino-4-methyl-N-octan-4-ylbenzamide

2-amino-4-methyl-N-octan-4-ylbenzamide (PubChem CID 106027828) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-amino-4-methyl-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-octan-4-ylbenzamide
PubChem CID106027828
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-amino-4-methyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1ccc(C)cc1N
InChIInChI=1S/C16H26N2O/c1-4-6-8-13(7-5-2)18-16(19)14-10-9-12(3)11-15(14)17/h9-11,13H,4-8,17H2,1-3H3,(H,18,19)
InChIKeyMDDDVGKHPDCBFC-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-methyl-N-octan-4-ylbenzamide
CID 106021787
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
CID 106025859
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
N-(1-aminohexan-2-yl)-2-bromo-5-methylbenzamide
CID 81112560
2-amino-4-methoxy-N-(1-methoxypentan-2-yl)benzamide
CID 115413334
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
2-chloro-N-octan-4-yl-5-sulfanylbenzamide
CID 106023995

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-octan-4-ylbenzamide?
The IUPAC name of 2-amino-4-methyl-N-octan-4-ylbenzamide (CID 106027828) is 2-amino-4-methyl-N-octan-4-ylbenzamide.
What is the SMILES notation for 2-amino-4-methyl-N-octan-4-ylbenzamide?
The canonical SMILES for 2-amino-4-methyl-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-amino-4-methyl-N-octan-4-ylbenzamide?
The InChIKey is MDDDVGKHPDCBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-6-8-13(7-5-2)18-16(19)14-10-9-12(3)11-15(14)17/h9-11,13H,4-8,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-4-methyl-N-octan-4-ylbenzamide?
2-amino-4-methyl-N-octan-4-ylbenzamide has a molecular weight of 262.40 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-octan-4-ylbenzamide is sourced from PubChem (CID 106027828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).