N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide

C19H29I2NO2 — CID 70677441

IUPACN-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1cc(I)c(O)c(I)c1
InChIInChI=1S/C19H29I2NO2/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-14-15-12-16(20)19(24)17(21)13-15/h12-13,24H,2-11,14H2,1H3,(H,22,23)
InChIKeyNANVMWNQFGEIMT-UHFFFAOYSA-N
MW557.25 g/mol
LogP6.14
Rot. Bonds12

About N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide

N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide (PubChem CID 70677441) has the molecular formula C19H29I2NO2 and a molecular weight of 557.25 g/mol. Its IUPAC name is N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide
PubChem CID70677441
Molecular FormulaC19H29I2NO2
Molecular Weight557.25 g/mol
Exact Mass557.03
IUPAC NameN-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NCc1cc(I)c(O)c(I)c1
InChIInChI=1S/C19H29I2NO2/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-14-15-12-16(20)19(24)17(21)13-15/h12-13,24H,2-11,14H2,1H3,(H,22,23)
InChIKeyNANVMWNQFGEIMT-UHFFFAOYSA-N
XLogP6.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.25
LogP ≤ 56.14
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'}

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Related Compounds

N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
N-[[3-[(henicosanoylamino)methyl]phenyl]methyl]henicosanamide
CID 101291080
N-benzylundecanamide
CID 5078198
N-[(4-methylphenyl)methyl]heptanamide
CID 4159981
N-[(4-methylphenyl)methyl]hexadecanamide
CID 11111158
N-[(3-hydroxyphenyl)methyl]hexanamide
CID 61017300
N-[[4-(aminomethyl)phenyl]methyl]heptanamide
CID 114751908
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-(pyridin-4-ylmethyl)dodecanamide
CID 4285447
N-[[4-(chloromethyl)phenyl]methyl]heptanamide
CID 107233492
N-[(3,4-dichlorophenyl)methyl]nonanamide
CID 4058649
sodium 4-[(decanoylamino)methyl]benzoate
CID 23676819

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide?
The IUPAC name of N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide (CID 70677441) is N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide.
What is the SMILES notation for N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide?
The canonical SMILES for N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide is CCCCCCCCCCCC(=O)NCc1cc(I)c(O)c(I)c1.
What is the InChIKey of N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide?
The InChIKey is NANVMWNQFGEIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29I2NO2/c1-2-3-4-5-6-7-8-9-10-11-18(23)22-14-15-12-16(20)19(24)17(21)13-15/h12-13,24H,2-11,14H2,1H3,(H,22,23).
What are the key properties of N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide?
N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide has a molecular weight of 557.25 g/mol, XLogP of 6.14, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3,5-diiodophenyl)methyl]dodecanamide is sourced from PubChem (CID 70677441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).