2-(tridecylamino)octanamide

C21H44N2O — CID 154123950

IUPAC2-(tridecylamino)octanamide
SMILESCCCCCCCCCCCCCNC(CCCCCC)C(N)=O
InChIInChI=1S/C21H44N2O/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-20(21(22)24)18-16-8-6-4-2/h20,23H,3-19H2,1-2H3,(H2,22,24)
InChIKeyBDLHBSSJJTWRGQ-UHFFFAOYSA-N
MW340.60 g/mol
LogP5.71
Rot. Bonds19

About 2-(tridecylamino)octanamide

2-(tridecylamino)octanamide (PubChem CID 154123950) has the molecular formula C21H44N2O and a molecular weight of 340.60 g/mol. Its IUPAC name is 2-(tridecylamino)octanamide.

Molecular Properties

Compound Name2-(tridecylamino)octanamide
PubChem CID154123950
Molecular FormulaC21H44N2O
Molecular Weight340.60 g/mol
Exact Mass340.35
IUPAC Name2-(tridecylamino)octanamide
SMILESCCCCCCCCCCCCCNC(CCCCCC)C(N)=O
InChIInChI=1S/C21H44N2O/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-20(21(22)24)18-16-8-6-4-2/h20,23H,3-19H2,1-2H3,(H2,22,24)
InChIKeyBDLHBSSJJTWRGQ-UHFFFAOYSA-N
XLogP5.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 55.71
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-(propylamino)nonanamide
CID 60796532
2-(propylamino)octanamide
CID 60795649
2-[2-(dimethylamino)ethylamino]nonanamide
CID 60995912
2-(pentylamino)octanoic acid
CID 129188286
2-[4-(tetradecylamino)butylamino]butanamide
CID 175024981
(2S)-6-amino-2-(octylamino)hexanoic acid
CID 88516426
6-amino-2-(hexylamino)hexanoic acid
CID 87424914
tert-butyl 2-(decylamino)decanoate
CID 151255865
2-(dodecylamino)hexanoic acid
CID 139637216
2-(butylamino)butanamide
CID 62901736
sodium (2S)-6-amino-2-(octadecylamino)hexanoate
CID 172749951
2-[2-(1-carboxynonylamino)ethylamino]decanoic acid
CID 86120299

Frequently Asked Questions

What is the IUPAC name of 2-(tridecylamino)octanamide?
The IUPAC name of 2-(tridecylamino)octanamide (CID 154123950) is 2-(tridecylamino)octanamide.
What is the SMILES notation for 2-(tridecylamino)octanamide?
The canonical SMILES for 2-(tridecylamino)octanamide is CCCCCCCCCCCCCNC(CCCCCC)C(N)=O.
What is the InChIKey of 2-(tridecylamino)octanamide?
The InChIKey is BDLHBSSJJTWRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2O/c1-3-5-7-9-10-11-12-13-14-15-17-19-23-20(21(22)24)18-16-8-6-4-2/h20,23H,3-19H2,1-2H3,(H2,22,24).
What are the key properties of 2-(tridecylamino)octanamide?
2-(tridecylamino)octanamide has a molecular weight of 340.60 g/mol, XLogP of 5.71, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tridecylamino)octanamide is sourced from PubChem (CID 154123950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).