nonyl 8-(3-imidazol-1-ylpropylamino)octanoate

C23H43N3O2 — CID 177020233

IUPACnonyl 8-(3-imidazol-1-ylpropylamino)octanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCNCCCn1ccnc1
InChIInChI=1S/C23H43N3O2/c1-2-3-4-5-6-10-13-21-28-23(27)15-11-8-7-9-12-16-24-17-14-19-26-20-18-25-22-26/h18,20,22,24H,2-17,19,21H2,1H3
InChIKeySTOZCQGCRPYTMY-UHFFFAOYSA-N
MW393.62 g/mol
LogP5.50
Rot. Bonds20

About nonyl 8-(3-imidazol-1-ylpropylamino)octanoate

nonyl 8-(3-imidazol-1-ylpropylamino)octanoate (PubChem CID 177020233) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is nonyl 8-(3-imidazol-1-ylpropylamino)octanoate.

Molecular Properties

Compound Namenonyl 8-(3-imidazol-1-ylpropylamino)octanoate
PubChem CID177020233
Molecular FormulaC23H43N3O2
Molecular Weight393.62 g/mol
Exact Mass393.34
IUPAC Namenonyl 8-(3-imidazol-1-ylpropylamino)octanoate
SMILESCCCCCCCCCOC(=O)CCCCCCCNCCCn1ccnc1
InChIInChI=1S/C23H43N3O2/c1-2-3-4-5-6-10-13-21-28-23(27)15-11-8-7-9-12-16-24-17-14-19-26-20-18-25-22-26/h18,20,22,24H,2-17,19,21H2,1H3
InChIKeySTOZCQGCRPYTMY-UHFFFAOYSA-N
XLogP5.50
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propyl 8-imidazol-1-yloctanoate
CID 54366798
2-imidazol-1-ylethyl hexadecanoate;oxalic acid
CID 86116323
dodecyl tridecanoate;N-octyloctan-1-amine
CID 88604290
7-[(8-heptoxy-8-oxooctyl)-(3-imidazol-1-ylpropyl)amino]heptyl 2-octyldecanoate
CID 169079667
nonyl 4-(nonylamino)butanoate
CID 142432007
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
nonyl 9-(2-hydroxyethylamino)nonanoate
CID 164552720
ethane;3-pentyloctyl 8-[heptyl(3-imidazol-1-ylpropyl)amino]octanoate
CID 178033511
undecyl 6-(3-hydroxypropylamino)hexanoate
CID 164552790
pentyl 9-(3-hydroxypropylamino)nonanoate
CID 171836826
nonyl 10-(3-hydroxypropylamino)decanoate
CID 164552702
heptyl 6-(2-hydroxyethylamino)hexanoate
CID 129286369

Frequently Asked Questions

What is the IUPAC name of nonyl 8-(3-imidazol-1-ylpropylamino)octanoate?
The IUPAC name of nonyl 8-(3-imidazol-1-ylpropylamino)octanoate (CID 177020233) is nonyl 8-(3-imidazol-1-ylpropylamino)octanoate.
What is the SMILES notation for nonyl 8-(3-imidazol-1-ylpropylamino)octanoate?
The canonical SMILES for nonyl 8-(3-imidazol-1-ylpropylamino)octanoate is CCCCCCCCCOC(=O)CCCCCCCNCCCn1ccnc1.
What is the InChIKey of nonyl 8-(3-imidazol-1-ylpropylamino)octanoate?
The InChIKey is STOZCQGCRPYTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O2/c1-2-3-4-5-6-10-13-21-28-23(27)15-11-8-7-9-12-16-24-17-14-19-26-20-18-25-22-26/h18,20,22,24H,2-17,19,21H2,1H3.
What are the key properties of nonyl 8-(3-imidazol-1-ylpropylamino)octanoate?
nonyl 8-(3-imidazol-1-ylpropylamino)octanoate has a molecular weight of 393.62 g/mol, XLogP of 5.50, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nonyl 8-(3-imidazol-1-ylpropylamino)octanoate is sourced from PubChem (CID 177020233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).