7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide

C18H32INO2 — CID 58297738

IUPAC7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide
SMILESCC/C=C(\C)[C@H]([C@@H](C)/C=C/I)N(C)C(=O)CCCCCCO
InChIInChI=1S/C18H32INO2/c1-5-10-15(2)18(16(3)12-13-19)20(4)17(22)11-8-6-7-9-14-21/h10,12-13,16,18,21H,5-9,11,14H2,1-4H3/b13-12+,15-10+/t16-,18+/m0/s1
InChIKeySBNJZSUPKFCIKX-RYMCKFSZSA-N
MW421.36 g/mol
LogP4.70
Rot. Bonds11

About 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide

7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide (PubChem CID 58297738) has the molecular formula C18H32INO2 and a molecular weight of 421.36 g/mol. Its IUPAC name is 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide.

Molecular Properties

Compound Name7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide
PubChem CID58297738
Molecular FormulaC18H32INO2
Molecular Weight421.36 g/mol
Exact Mass421.15
IUPAC Name7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide
SMILESCC/C=C(\C)[C@H]([C@@H](C)/C=C/I)N(C)C(=O)CCCCCCO
InChIInChI=1S/C18H32INO2/c1-5-10-15(2)18(16(3)12-13-19)20(4)17(22)11-8-6-7-9-14-21/h10,12-13,16,18,21H,5-9,11,14H2,1-4H3/b13-12+,15-10+/t16-,18+/m0/s1
InChIKeySBNJZSUPKFCIKX-RYMCKFSZSA-N
XLogP4.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.36
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide?
The IUPAC name of 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide (CID 58297738) is 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide.
What is the SMILES notation for 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide?
The canonical SMILES for 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide is CC/C=C(\C)[C@H]([C@@H](C)/C=C/I)N(C)C(=O)CCCCCCO.
What is the InChIKey of 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide?
The InChIKey is SBNJZSUPKFCIKX-RYMCKFSZSA-N. The full InChI is InChI=1S/C18H32INO2/c1-5-10-15(2)18(16(3)12-13-19)20(4)17(22)11-8-6-7-9-14-21/h10,12-13,16,18,21H,5-9,11,14H2,1-4H3/b13-12+,15-10+/t16-,18+/m0/s1.
What are the key properties of 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide?
7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide has a molecular weight of 421.36 g/mol, XLogP of 4.70, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide is sourced from PubChem (CID 58297738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).