[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid

C18H36N2O7 — CID 138695815

IUPAC[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
SMILESNCCOCCOCCOCCOCCOCC1CCC(NC(=O)O)CC1
InChIInChI=1S/C18H36N2O7/c19-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-1-3-17(4-2-16)20-18(21)22/h16-17,20H,1-15,19H2,(H,21,22)
InChIKeyORDLKWYECMBWBJ-UHFFFAOYSA-N
MW392.49 g/mol
LogP0.85
Rot. Bonds17

About [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid

[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid (PubChem CID 138695815) has the molecular formula C18H36N2O7 and a molecular weight of 392.49 g/mol. Its IUPAC name is [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
PubChem CID138695815
Molecular FormulaC18H36N2O7
Molecular Weight392.49 g/mol
Exact Mass392.25
IUPAC Name[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid
SMILESNCCOCCOCCOCCOCCOCC1CCC(NC(=O)O)CC1
InChIInChI=1S/C18H36N2O7/c19-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-1-3-17(4-2-16)20-18(21)22/h16-17,20H,1-15,19H2,(H,21,22)
InChIKeyORDLKWYECMBWBJ-UHFFFAOYSA-N
XLogP0.85
TPSA121.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid?
The IUPAC name of [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid (CID 138695815) is [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid.
What is the SMILES notation for [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid?
The canonical SMILES for [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid is NCCOCCOCCOCCOCCOCC1CCC(NC(=O)O)CC1.
What is the InChIKey of [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid?
The InChIKey is ORDLKWYECMBWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O7/c19-5-6-23-7-8-24-9-10-25-11-12-26-13-14-27-15-16-1-3-17(4-2-16)20-18(21)22/h16-17,20H,1-15,19H2,(H,21,22).
What are the key properties of [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid?
[4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid has a molecular weight of 392.49 g/mol, XLogP of 0.85, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 138695815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).