N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C17H24INO — CID 107848051

IUPACN-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCCCCI)C1CCc2ccccc2C1
InChIInChI=1S/C17H24INO/c18-11-5-1-2-6-12-19-17(20)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-8,16H,1-2,5-6,9-13H2,(H,19,20)
InChIKeyLEBOJAAZWDZBJQ-UHFFFAOYSA-N
MW385.29 g/mol
LogP3.90
Rot. Bonds7

About N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107848051) has the molecular formula C17H24INO and a molecular weight of 385.29 g/mol. Its IUPAC name is N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107848051
Molecular FormulaC17H24INO
Molecular Weight385.29 g/mol
Exact Mass385.09
IUPAC NameN-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(NCCCCCCI)C1CCc2ccccc2C1
InChIInChI=1S/C17H24INO/c18-11-5-1-2-6-12-19-17(20)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-8,16H,1-2,5-6,9-13H2,(H,19,20)
InChIKeyLEBOJAAZWDZBJQ-UHFFFAOYSA-N
XLogP3.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chloroethoxy)propyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106306525
N-(2-cyanoethyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126680
N-[2-(3-hydroxypropylsulfanyl)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106305884
N-(6-iodohexyl)-1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalene-1-carboxamide
CID 107848547
N-(4,4-diethoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 66937672
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
N-(3-chloropentyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127772
N-[2-(2-hydroxypropylamino)ethyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127313
N-(5-amino-5-sulfanylidenepentyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892938
N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(3-hydroxy-4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 106242608
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414

Frequently Asked Questions

What is the IUPAC name of N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107848051) is N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(NCCCCCCI)C1CCc2ccccc2C1.
What is the InChIKey of N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is LEBOJAAZWDZBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24INO/c18-11-5-1-2-6-12-19-17(20)16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-8,16H,1-2,5-6,9-13H2,(H,19,20).
What are the key properties of N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-iodohexyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107848051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).