N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide

C23H32INO2 — CID 23456855

IUPACN-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(I)c2ccccc2c1O
InChIInChI=1S/C23H32INO2/c1-2-3-4-5-6-7-8-9-10-13-16-25-23(27)20-17-21(24)18-14-11-12-15-19(18)22(20)26/h11-12,14-15,17,26H,2-10,13,16H2,1H3,(H,25,27)
InChIKeyAZJUIOMBUXFLOT-UHFFFAOYSA-N
MW481.42 g/mol
LogP6.80
Rot. Bonds12

About N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide

N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide (PubChem CID 23456855) has the molecular formula C23H32INO2 and a molecular weight of 481.42 g/mol. Its IUPAC name is N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
PubChem CID23456855
Molecular FormulaC23H32INO2
Molecular Weight481.42 g/mol
Exact Mass481.15
IUPAC NameN-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(I)c2ccccc2c1O
InChIInChI=1S/C23H32INO2/c1-2-3-4-5-6-7-8-9-10-13-16-25-23(27)20-17-21(24)18-14-11-12-15-19(18)22(20)26/h11-12,14-15,17,26H,2-10,13,16H2,1H3,(H,25,27)
InChIKeyAZJUIOMBUXFLOT-UHFFFAOYSA-N
XLogP6.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.42
LogP ≤ 56.80
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

1,4-dihydroxy-N-octylnaphthalene-2-carboxamide
CID 139806223
4-hydroxy-3-(octadecylcarbamoyl)naphthalene-1-sulfonic acid
CID 3709167
2-hydroxy-3,4,5-triiodo-N-pentylbenzamide
CID 13149464
hexadecyl [3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl] carbonate
CID 59109670
N-dodecylnaphthalene-1-carboxamide
CID 4278758
4-(2-butoxy-5-methylphenyl)sulfanyl-N-dodecyl-1-hydroxynaphthalene-2-carboxamide
CID 59109681
2-(pentylcarbamoyl)benzoate
CID 7429981
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
2-(nonylcarbamoyl)benzoic acid
CID 177437719
4-hydroxy-N-pentylnaphthalene-1-carboxamide
CID 139771877
2-[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxyethylsulfanyl acetate
CID 170850231
1-N,3-N,6-N,8-N-tetra(tetradecyl)pyrene-1,3,6,8-tetracarboxamide
CID 102360189

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide?
The IUPAC name of N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide (CID 23456855) is N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide.
What is the SMILES notation for N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide?
The canonical SMILES for N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide is CCCCCCCCCCCCNC(=O)c1cc(I)c2ccccc2c1O.
What is the InChIKey of N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide?
The InChIKey is AZJUIOMBUXFLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32INO2/c1-2-3-4-5-6-7-8-9-10-13-16-25-23(27)20-17-21(24)18-14-11-12-15-19(18)22(20)26/h11-12,14-15,17,26H,2-10,13,16H2,1H3,(H,25,27).
What are the key properties of N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide?
N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide has a molecular weight of 481.42 g/mol, XLogP of 6.80, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-1-hydroxy-4-iodonaphthalene-2-carboxamide is sourced from PubChem (CID 23456855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).