N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide

C18H28INO3 — CID 35026498

IUPACN-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide
SMILESCOc1cc(CNC(=O)CCCCCCC(C)C)c(I)cc1O
InChIInChI=1S/C18H28INO3/c1-13(2)8-6-4-5-7-9-18(22)20-12-14-10-17(23-3)16(21)11-15(14)19/h10-11,13,21H,4-9,12H2,1-3H3,(H,20,22)
InChIKeyWPVUDCLXIKWQHK-UHFFFAOYSA-N
MW433.33 g/mol
LogP4.62
Rot. Bonds10

About N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide

N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide (PubChem CID 35026498) has the molecular formula C18H28INO3 and a molecular weight of 433.33 g/mol. Its IUPAC name is N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide
PubChem CID35026498
Molecular FormulaC18H28INO3
Molecular Weight433.33 g/mol
Exact Mass433.11
IUPAC NameN-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide
SMILESCOc1cc(CNC(=O)CCCCCCC(C)C)c(I)cc1O
InChIInChI=1S/C18H28INO3/c1-13(2)8-6-4-5-7-9-18(22)20-12-14-10-17(23-3)16(21)11-15(14)19/h10-11,13,21H,4-9,12H2,1-3H3,(H,20,22)
InChIKeyWPVUDCLXIKWQHK-UHFFFAOYSA-N
XLogP4.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.33
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylamino]-2-oxoethyl] dodecanoate
CID 135373249
[2-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylamino]-2-oxoethyl] (E)-docos-13-enoate
CID 135373304
[2-[(4-hydroxy-2-iodo-5-methoxyphenyl)methylamino]-2-oxoethyl] (Z)-12-hydroxyoctadec-9-enoate
CID 135373232
ethanol;N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnonanamide;2-methylbutane;propan-2-ol
CID 174965538
N,N'-bis[(2-chloro-4,5-dimethoxyphenyl)methyl]octanediamide
CID 54786049
[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenyl] acetate
CID 91715808
[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenyl] 2,2,2-trifluoroacetate
CID 91737115
[2-methoxy-4-[(8-methylnonanoylamino)methyl]phenoxy]methyl hydrogen sulfite
CID 145358690
N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide
CID 2998
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]hexanamide
CID 54785381
(4-hydroxy-3-methoxyphenyl)methyl 10-methylundecanoate
CID 68603374
8-hydroxy-N-[(4-hydroxy-3-methoxyphenyl)methyl]non-6-enamide
CID 162817846

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide?
The IUPAC name of N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide (CID 35026498) is N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide.
What is the SMILES notation for N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide?
The canonical SMILES for N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide is COc1cc(CNC(=O)CCCCCCC(C)C)c(I)cc1O.
What is the InChIKey of N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide?
The InChIKey is WPVUDCLXIKWQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28INO3/c1-13(2)8-6-4-5-7-9-18(22)20-12-14-10-17(23-3)16(21)11-15(14)19/h10-11,13,21H,4-9,12H2,1-3H3,(H,20,22).
What are the key properties of N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide?
N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide has a molecular weight of 433.33 g/mol, XLogP of 4.62, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide is sourced from PubChem (CID 35026498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).