3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide

C23H42N2O5 — CID 172598055

IUPAC3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CCOCCOCCOCCOCCN)(C3)C2
InChIInChI=1S/C23H42N2O5/c1-21-13-19-14-22(2,16-21)18-23(15-19,17-21)25-20(26)3-5-27-7-9-29-11-12-30-10-8-28-6-4-24/h19H,3-18,24H2,1-2H3,(H,25,26)
InChIKeyHAPAVCLGVOMOMO-UHFFFAOYSA-N
MW426.60 g/mol
LogP2.27
Rot. Bonds15

About 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide

3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide (PubChem CID 172598055) has the molecular formula C23H42N2O5 and a molecular weight of 426.60 g/mol. Its IUPAC name is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide.

Molecular Properties

Compound Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide
PubChem CID172598055
Molecular FormulaC23H42N2O5
Molecular Weight426.60 g/mol
Exact Mass426.31
IUPAC Name3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide
SMILESCC12CC3CC(C)(C1)CC(NC(=O)CCOCCOCCOCCOCCN)(C3)C2
InChIInChI=1S/C23H42N2O5/c1-21-13-19-14-22(2,16-21)18-23(15-19,17-21)25-20(26)3-5-27-7-9-29-11-12-30-10-8-28-6-4-24/h19H,3-18,24H2,1-2H3,(H,25,26)
InChIKeyHAPAVCLGVOMOMO-UHFFFAOYSA-N
XLogP2.27
TPSA92.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.60
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide?
The IUPAC name of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide (CID 172598055) is 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide.
What is the SMILES notation for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide?
The canonical SMILES for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide is CC12CC3CC(C)(C1)CC(NC(=O)CCOCCOCCOCCOCCN)(C3)C2.
What is the InChIKey of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide?
The InChIKey is HAPAVCLGVOMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O5/c1-21-13-19-14-22(2,16-21)18-23(15-19,17-21)25-20(26)3-5-27-7-9-29-11-12-30-10-8-28-6-4-24/h19H,3-18,24H2,1-2H3,(H,25,26).
What are the key properties of 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide?
3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide has a molecular weight of 426.60 g/mol, XLogP of 2.27, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-N-(3,5-dimethyl-1-adamantyl)propanamide is sourced from PubChem (CID 172598055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).