N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C15H32N2O5 — CID 54221909

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-15(2,3)22-17(14-18)7-5-9-20-11-13-21-12-10-19-8-4-6-16/h14H,4-13,16H2,1-3H3
InChIKeyQDESRDISWOMNLD-UHFFFAOYSA-N
MW320.43 g/mol
LogP0.96
Rot. Bonds15

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 54221909) has the molecular formula C15H32N2O5 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID54221909
Molecular FormulaC15H32N2O5
Molecular Weight320.43 g/mol
Exact Mass320.23
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCCOCCOCCOCCCN
InChIInChI=1S/C15H32N2O5/c1-15(2,3)22-17(14-18)7-5-9-20-11-13-21-12-10-19-8-4-6-16/h14H,4-13,16H2,1-3H3
InChIKeyQDESRDISWOMNLD-UHFFFAOYSA-N
XLogP0.96
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 54221909) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CCCOCCOCCOCCCN.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is QDESRDISWOMNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O5/c1-15(2,3)22-17(14-18)7-5-9-20-11-13-21-12-10-19-8-4-6-16/h14H,4-13,16H2,1-3H3.
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 320.43 g/mol, XLogP of 0.96, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 54221909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).