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

C17H30INO2 — CID 59865185

IUPAC7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide
SMILESCC/C=C(\C)C(NC(=O)CCCCCCO)[C@@H](C)/C=C/I
InChIInChI=1S/C17H30INO2/c1-4-9-14(2)17(15(3)11-12-18)19-16(21)10-7-5-6-8-13-20/h9,11-12,15,17,20H,4-8,10,13H2,1-3H3,(H,19,21)/b12-11+,14-9+/t15-,17?/m0/s1
InChIKeyAMKUYOYXVKEDPR-NFUAOKLBSA-N
MW407.34 g/mol
LogP4.36
Rot. Bonds11

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

7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide (PubChem CID 59865185) has the molecular formula C17H30INO2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide.

Molecular Properties

Compound Name7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide
PubChem CID59865185
Molecular FormulaC17H30INO2
Molecular Weight407.34 g/mol
Exact Mass407.13
IUPAC Name7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide
SMILESCC/C=C(\C)C(NC(=O)CCCCCCO)[C@@H](C)/C=C/I
InChIInChI=1S/C17H30INO2/c1-4-9-14(2)17(15(3)11-12-18)19-16(21)10-7-5-6-8-13-20/h9,11-12,15,17,20H,4-8,10,13H2,1-3H3,(H,19,21)/b12-11+,14-9+/t15-,17?/m0/s1
InChIKeyAMKUYOYXVKEDPR-NFUAOKLBSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
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'}

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Related Compounds

(Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide
CID 44219059
(9Z,12Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadeca-9,12-dienamide
CID 44219063
7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]-N-methylheptanamide
CID 58297738
7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide
CID 58297751
(Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadec-9-enamide
CID 58361153
(11R)-11-(hydroxymethyl)-9-methyl-8-[(2Z,5Z)-undeca-2,5-dienyl]-azacycloundecan-2-one
CID 68302581
(9Z,12Z)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadeca-9,12-dienamide
CID 87355283
(9Z,12Z,15Z)-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]octadeca-9,12,15-trienamide
CID 88174303
N-[(1E,3S,4S,5E)-7-butoxy-1-iodo-3,5-dimethylhepta-1,5-dien-4-yl]-7-hydroxyheptanamide
CID 88933420
N-[(1E,3S,4S,5E)-7-butoxy-1-iodo-3,5-dimethylhepta-1,5-dien-4-yl]-7-hydroxy-N-methylheptanamide
CID 88933445
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]octadeca-9,12-dienamide
CID 123156271
bis[bis(phosphanyl)phosphanyl]-(diphosphanyl)phosphane;7-hydroxy-N-[(1E,3S,4S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide;octanoic acid;tris[bis(phosphanyl)phosphanyl]phosphane
CID 123334311

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide?
The IUPAC name of 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide (CID 59865185) is 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide.
What is the SMILES notation for 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide?
The canonical SMILES for 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide is CC/C=C(\C)C(NC(=O)CCCCCCO)[C@@H](C)/C=C/I.
What is the InChIKey of 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide?
The InChIKey is AMKUYOYXVKEDPR-NFUAOKLBSA-N. The full InChI is InChI=1S/C17H30INO2/c1-4-9-14(2)17(15(3)11-12-18)19-16(21)10-7-5-6-8-13-20/h9,11-12,15,17,20H,4-8,10,13H2,1-3H3,(H,19,21)/b12-11+,14-9+/t15-,17?/m0/s1.
What are the key properties of 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide?
7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide has a molecular weight of 407.34 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-N-[(1E,3S,5E)-1-iodo-3,5-dimethylocta-1,5-dien-4-yl]heptanamide is sourced from PubChem (CID 59865185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).