4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide

C22H39N3O2 — CID 58661279

IUPAC4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCC(=O)n1ccnc1
InChIInChI=1S/C22H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-21(26)15-16-22(27)25-19-18-23-20-25/h18-20H,2-17H2,1H3,(H,24,26)
InChIKeyLSQCZRWFJKYTOY-UHFFFAOYSA-N
MW377.57 g/mol
LogP5.51
Rot. Bonds17

About 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide

4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide (PubChem CID 58661279) has the molecular formula C22H39N3O2 and a molecular weight of 377.57 g/mol. Its IUPAC name is 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide.

Molecular Properties

Compound Name4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide
PubChem CID58661279
Molecular FormulaC22H39N3O2
Molecular Weight377.57 g/mol
Exact Mass377.30
IUPAC Name4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide
SMILESCCCCCCCCCCCCCCCNC(=O)CCC(=O)n1ccnc1
InChIInChI=1S/C22H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-21(26)15-16-22(27)25-19-18-23-20-25/h18-20H,2-17H2,1H3,(H,24,26)
InChIKeyLSQCZRWFJKYTOY-UHFFFAOYSA-N
XLogP5.51
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.57
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1,12-di(imidazol-1-yl)dodecane-1,12-dione
CID 14413802
1,6-di(imidazol-1-yl)hexane-1,6-dione
CID 14413796
1-imidazol-1-yl-2-tetradecylsulfanylethanone
CID 58641080
N-pentylicosanamide
CID 139961886
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[12-(decanoylamino)dodecyl]decanamide
CID 142735988
N-[4-(docosanoylamino)butyl]docosanamide
CID 87333313
N-dodecylhexanamide
CID 3362981

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide?
The IUPAC name of 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide (CID 58661279) is 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide.
What is the SMILES notation for 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide?
The canonical SMILES for 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide is CCCCCCCCCCCCCCCNC(=O)CCC(=O)n1ccnc1.
What is the InChIKey of 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide?
The InChIKey is LSQCZRWFJKYTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-21(26)15-16-22(27)25-19-18-23-20-25/h18-20H,2-17H2,1H3,(H,24,26).
What are the key properties of 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide?
4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide has a molecular weight of 377.57 g/mol, XLogP of 5.51, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-4-oxo-N-pentadecylbutanamide is sourced from PubChem (CID 58661279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).