[2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid

C17H26INO4 — CID 175293275

IUPAC[2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid
SMILESCCCCC(CC)C(NC(=O)O)(OCOC)c1ccccc1I
InChIInChI=1S/C17H26INO4/c1-4-6-9-13(5-2)17(19-16(20)21,23-12-22-3)14-10-7-8-11-15(14)18/h7-8,10-11,13,19H,4-6,9,12H2,1-3H3,(H,20,21)
InChIKeyLZLOEZYMDOQALI-UHFFFAOYSA-N
MW435.30 g/mol
LogP4.55
Rot. Bonds10

About [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid

[2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid (PubChem CID 175293275) has the molecular formula C17H26INO4 and a molecular weight of 435.30 g/mol. Its IUPAC name is [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid.

Molecular Properties

Compound Name[2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid
PubChem CID175293275
Molecular FormulaC17H26INO4
Molecular Weight435.30 g/mol
Exact Mass435.09
IUPAC Name[2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid
SMILESCCCCC(CC)C(NC(=O)O)(OCOC)c1ccccc1I
InChIInChI=1S/C17H26INO4/c1-4-6-9-13(5-2)17(19-16(20)21,23-12-22-3)14-10-7-8-11-15(14)18/h7-8,10-11,13,19H,4-6,9,12H2,1-3H3,(H,20,21)
InChIKeyLZLOEZYMDOQALI-UHFFFAOYSA-N
XLogP4.55
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.30
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

[(1R)-1-(2-iodophenyl)-1-(methoxymethoxy)butyl] carbamate
CID 175407046
2-(1,1-diethoxy-2-ethyldecyl)phenol
CID 151998157
3-butyl-2-hexan-3-yl-2-phenylheptanoic acid;ethane
CID 143472526
methyl 2-phenylsulfanylhexanoate
CID 12957041
2,3-diethyl-2-phenyloctanoic acid
CID 175036838
(1-anilino-1-oxohexan-2-yl) carbamate
CID 175484349
(2R)-2-phenoxyhexanoic acid
CID 71401043
2-ethylhexanoic acid;toluene
CID 67379128
1-(2-methoxyethoxy)pentylbenzene
CID 10977044
2-(2-iodophenyl)hexanamide
CID 141277814
[(1S)-1-hydroxy-1-(2-iodophenyl)butyl] N-propan-2-ylcarbamate
CID 140610619
methyl 2-chloro-2-[hydroxy(phenyl)methyl]hexanoate
CID 10707211

Frequently Asked Questions

What is the IUPAC name of [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid?
The IUPAC name of [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid (CID 175293275) is [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid.
What is the SMILES notation for [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid?
The canonical SMILES for [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid is CCCCC(CC)C(NC(=O)O)(OCOC)c1ccccc1I.
What is the InChIKey of [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid?
The InChIKey is LZLOEZYMDOQALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26INO4/c1-4-6-9-13(5-2)17(19-16(20)21,23-12-22-3)14-10-7-8-11-15(14)18/h7-8,10-11,13,19H,4-6,9,12H2,1-3H3,(H,20,21).
What are the key properties of [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid?
[2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid has a molecular weight of 435.30 g/mol, XLogP of 4.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-1-(2-iodophenyl)-1-(methoxymethoxy)hexyl]carbamic acid is sourced from PubChem (CID 175293275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).