N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

C13H28N2O5 — CID 57213281

IUPACN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCOCCOCCOCCN
InChIInChI=1S/C13H28N2O5/c1-13(2,3)20-15(12-16)5-7-18-9-11-19-10-8-17-6-4-14/h12H,4-11,14H2,1-3H3
InChIKeyQNICYBVECYFZCR-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.18
Rot. Bonds13

About N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide

N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (PubChem CID 57213281) has the molecular formula C13H28N2O5 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.

Molecular Properties

Compound NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
PubChem CID57213281
Molecular FormulaC13H28N2O5
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC NameN-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide
SMILESCC(C)(C)ON(C=O)CCOCCOCCOCCN
InChIInChI=1S/C13H28N2O5/c1-13(2,3)20-15(12-16)5-7-18-9-11-19-10-8-17-6-4-14/h12H,4-11,14H2,1-3H3
InChIKeyQNICYBVECYFZCR-UHFFFAOYSA-N
XLogP0.18
TPSA83.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.18
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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Related Compounds

CID 54221909
CID 54221909
CID 57079202
CID 57079202
CID 89629277
CID 89629277
CID 129175966
CID 129175966
CID 129273951
CID 129273951
CID 138534290
CID 138534290
CID 141514275
CID 141514275
CID 169844778
CID 169844778
CID 171850463
CID 171850463
CID 174997962
CID 174997962
CID 132820513
CID 132820513
CID 153430773
CID 153430773

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The IUPAC name of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide (CID 57213281) is N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide.
What is the SMILES notation for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The canonical SMILES for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is CC(C)(C)ON(C=O)CCOCCOCCOCCN.
What is the InChIKey of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
The InChIKey is QNICYBVECYFZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O5/c1-13(2,3)20-15(12-16)5-7-18-9-11-19-10-8-17-6-4-14/h12H,4-11,14H2,1-3H3.
What are the key properties of N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide?
N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide has a molecular weight of 292.38 g/mol, XLogP of 0.18, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-N-[(2-methylpropan-2-yl)oxy]formamide is sourced from PubChem (CID 57213281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).