1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea

C23H42N2O4 — CID 59168740

IUPAC1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea
SMILESCCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H42N2O4/c1-2-27-9-10-29-12-11-28-8-6-4-3-5-7-24-22(26)25-23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3,(H2,24,25,26)
InChIKeyAUBNWSWJDWIFGV-UHFFFAOYSA-N
MW410.60 g/mol
LogP3.88
Rot. Bonds15

About 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea

1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea (PubChem CID 59168740) has the molecular formula C23H42N2O4 and a molecular weight of 410.60 g/mol. Its IUPAC name is 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea.

Molecular Properties

Compound Name1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea
PubChem CID59168740
Molecular FormulaC23H42N2O4
Molecular Weight410.60 g/mol
Exact Mass410.31
IUPAC Name1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea
SMILESCCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H42N2O4/c1-2-27-9-10-29-12-11-28-8-6-4-3-5-7-24-22(26)25-23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3,(H2,24,25,26)
InChIKeyAUBNWSWJDWIFGV-UHFFFAOYSA-N
XLogP3.88
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.60
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-adamantyl)-3-hexylurea
CID 102308549
1-(1-adamantyl)-3-(6-oxooctyl)urea
CID 58239524
propan-2-yl 12-(1-adamantylcarbamoylamino)dodecanoate
CID 11362548
1-(1-adamantyl)-3-[2-(2-aminoethoxy)ethyl]urea
CID 63766148
1-(1-adamantyl)-3-[(1S,5S)-8-(3-ethoxypropylcarbamothioyl)-8-azabicyclo[3.2.1]octan-3-yl]urea
CID 98111295
1-(1-adamantyl)-3-(4-hydroxydecyl)urea
CID 11772500
butyl 12-[(3,7-dimethyl-1-bicyclo[3.3.1]nonanyl)carbamoylamino]dodecanoate
CID 130219449
propan-2-yl 8-(1-adamantylcarbamoylamino)-2-fluorooct-2-enoate
CID 68876845
1-(1-adamantyl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111503740
1-(1-adamantyl)-3-[2-(dimethylamino)ethyl]urea
CID 3726783
1-(1-adamantyl)-3-(3-hydroxypentyl)urea
CID 115704022
3-(1-adamantylcarbamoylamino)-N,N-dipropylpropanamide
CID 30282519

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea?
The IUPAC name of 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea (CID 59168740) is 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea.
What is the SMILES notation for 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea?
The canonical SMILES for 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea is CCOCCOCCOCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea?
The InChIKey is AUBNWSWJDWIFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O4/c1-2-27-9-10-29-12-11-28-8-6-4-3-5-7-24-22(26)25-23-16-19-13-20(17-23)15-21(14-19)18-23/h19-21H,2-18H2,1H3,(H2,24,25,26).
What are the key properties of 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea?
1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea has a molecular weight of 410.60 g/mol, XLogP of 3.88, 15 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-3-[6-[2-(2-ethoxyethoxy)ethoxy]hexyl]urea is sourced from PubChem (CID 59168740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).