2-(octan-3-ylamino)benzamide

C15H24N2O — CID 151964869

IUPAC2-(octan-3-ylamino)benzamide
SMILESCCCCCC(CC)Nc1ccccc1C(N)=O
InChIInChI=1S/C15H24N2O/c1-3-5-6-9-12(4-2)17-14-11-8-7-10-13(14)15(16)18/h7-8,10-12,17H,3-6,9H2,1-2H3,(H2,16,18)
InChIKeyTZLBQPBFJNKTOF-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.56
Rot. Bonds8

About 2-(octan-3-ylamino)benzamide

2-(octan-3-ylamino)benzamide (PubChem CID 151964869) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(octan-3-ylamino)benzamide.

Molecular Properties

Compound Name2-(octan-3-ylamino)benzamide
PubChem CID151964869
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(octan-3-ylamino)benzamide
SMILESCCCCCC(CC)Nc1ccccc1C(N)=O
InChIInChI=1S/C15H24N2O/c1-3-5-6-9-12(4-2)17-14-11-8-7-10-13(14)15(16)18/h7-8,10-12,17H,3-6,9H2,1-2H3,(H2,16,18)
InChIKeyTZLBQPBFJNKTOF-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(hexan-3-ylamino)benzoic acid
CID 62230532
2-(pentan-3-ylamino)benzoic acid
CID 43139564
N-undecan-3-ylaniline
CID 171755615
2-(1-aminopropan-2-ylamino)benzamide
CID 63733598
2-amino-3-(hexan-3-ylamino)benzoic acid
CID 115545796
2-(2-ethylbutanoylamino)benzamide
CID 1214109
ethane;hexane;2-hydroxybenzamide
CID 143703157
2-(butylsulfonylamino)benzamide
CID 17376030
methyl 2-[[(2R)-octan-2-yl]amino]benzoate
CID 93257053
2-[1-[methyl(phosphanyl)amino]pentan-3-ylamino]benzoic acid
CID 143542706
5-amino-2-(pentan-3-ylamino)benzamide
CID 61311719
N-octan-4-yl-2-(propan-2-ylamino)benzamide
CID 106027367

Frequently Asked Questions

What is the IUPAC name of 2-(octan-3-ylamino)benzamide?
The IUPAC name of 2-(octan-3-ylamino)benzamide (CID 151964869) is 2-(octan-3-ylamino)benzamide.
What is the SMILES notation for 2-(octan-3-ylamino)benzamide?
The canonical SMILES for 2-(octan-3-ylamino)benzamide is CCCCCC(CC)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-(octan-3-ylamino)benzamide?
The InChIKey is TZLBQPBFJNKTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-5-6-9-12(4-2)17-14-11-8-7-10-13(14)15(16)18/h7-8,10-12,17H,3-6,9H2,1-2H3,(H2,16,18).
What are the key properties of 2-(octan-3-ylamino)benzamide?
2-(octan-3-ylamino)benzamide has a molecular weight of 248.37 g/mol, XLogP of 3.56, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-3-ylamino)benzamide is sourced from PubChem (CID 151964869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).