5-amino-2,4-dimethyl-N-octan-4-ylbenzamide

C17H28N2O — CID 106021805

IUPAC5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-7-9-14(8-6-2)19-17(20)15-11-16(18)13(4)10-12(15)3/h10-11,14H,5-9,18H2,1-4H3,(H,19,20)
InChIKeyCFKYQPWTHBPFGE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.97
Rot. Bonds7

About 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide

5-amino-2,4-dimethyl-N-octan-4-ylbenzamide (PubChem CID 106021805) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
PubChem CID106021805
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cc(N)c(C)cc1C
InChIInChI=1S/C17H28N2O/c1-5-7-9-14(8-6-2)19-17(20)15-11-16(18)13(4)10-12(15)3/h10-11,14H,5-9,18H2,1-4H3,(H,19,20)
InChIKeyCFKYQPWTHBPFGE-UHFFFAOYSA-N
XLogP3.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.97
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-methyl-N-octan-4-ylbenzamide
CID 106027828
2-amino-4-bromo-N-octan-4-ylbenzamide
CID 102978718
5-amino-2-bromo-N-octan-4-ylbenzamide
CID 106021624
5-amino-2,4-dimethyl-N-(5-methylhexan-2-yl)benzamide
CID 102705072
5-amino-N-hexyl-2,4-dimethylbenzamide
CID 102705178
2-hydrazinyl-4-methyl-N-octan-4-ylbenzamide
CID 106025859
4-amino-2-methoxy-N-octan-4-ylbenzamide
CID 106021761
5-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,4-dimethylbenzamide
CID 102705069
2-amino-N-(1-aminohexan-2-yl)benzamide
CID 122080973
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide?
The IUPAC name of 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide (CID 106021805) is 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide.
What is the SMILES notation for 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide?
The canonical SMILES for 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1cc(N)c(C)cc1C.
What is the InChIKey of 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide?
The InChIKey is CFKYQPWTHBPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-7-9-14(8-6-2)19-17(20)15-11-16(18)13(4)10-12(15)3/h10-11,14H,5-9,18H2,1-4H3,(H,19,20).
What are the key properties of 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide?
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide has a molecular weight of 276.42 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethyl-N-octan-4-ylbenzamide is sourced from PubChem (CID 106021805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).