N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine

C23H49FN2O6 — CID 156802606

IUPACN-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCOCCOCCOC(C)(C)CF.CCNC(=O)C(C)C
InChIInChI=1S/C17H36FNO5.C6H13NO/c1-16(2)19-5-6-20-7-8-21-9-10-22-11-12-23-13-14-24-17(3,4)15-18;1-4-7-6(8)5(2)3/h16,19H,5-15H2,1-4H3;5H,4H2,1-3H3,(H,7,8)
InChIKeyDDRALJVBBKCABJ-UHFFFAOYSA-N
MW468.65 g/mol
LogP2.59
Rot. Bonds20

About N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine

N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine (PubChem CID 156802606) has the molecular formula C23H49FN2O6 and a molecular weight of 468.65 g/mol. Its IUPAC name is N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
PubChem CID156802606
Molecular FormulaC23H49FN2O6
Molecular Weight468.65 g/mol
Exact Mass468.36
IUPAC NameN-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine
SMILESCC(C)NCCOCCOCCOCCOCCOC(C)(C)CF.CCNC(=O)C(C)C
InChIInChI=1S/C17H36FNO5.C6H13NO/c1-16(2)19-5-6-20-7-8-21-9-10-22-11-12-23-13-14-24-17(3,4)15-18;1-4-7-6(8)5(2)3/h16,19H,5-15H2,1-4H3;5H,4H2,1-3H3,(H,7,8)
InChIKeyDDRALJVBBKCABJ-UHFFFAOYSA-N
XLogP2.59
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds20
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.65
LogP ≤ 52.59
H-Bond Donors ≤ 52
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 N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine?
The IUPAC name of N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine (CID 156802606) is N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine?
The canonical SMILES for N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine is CC(C)NCCOCCOCCOCCOCCOC(C)(C)CF.CCNC(=O)C(C)C.
What is the InChIKey of N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine?
The InChIKey is DDRALJVBBKCABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36FNO5.C6H13NO/c1-16(2)19-5-6-20-7-8-21-9-10-22-11-12-23-13-14-24-17(3,4)15-18;1-4-7-6(8)5(2)3/h16,19H,5-15H2,1-4H3;5H,4H2,1-3H3,(H,7,8).
What are the key properties of N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine?
N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine has a molecular weight of 468.65 g/mol, XLogP of 2.59, 20 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methylpropanamide;N-[2-[2-[2-[2-[2-(1-fluoro-2-methylpropan-2-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 156802606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).