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

C9H19NO3 — CID 138534290

IUPACN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide
SMILESCC(C)(C)OCCOCCNC=O
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-7-6-12-5-4-10-8-11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyGVBRHKYNLSPCRE-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.56
Rot. Bonds7

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

N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide (PubChem CID 138534290) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide
PubChem CID138534290
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC NameN-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide
SMILESCC(C)(C)OCCOCCNC=O
InChIInChI=1S/C9H19NO3/c1-9(2,3)13-7-6-12-5-4-10-8-11/h8H,4-7H2,1-3H3,(H,10,11)
InChIKeyGVBRHKYNLSPCRE-UHFFFAOYSA-N
XLogP0.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide?
The IUPAC name of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide (CID 138534290) is N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide.
What is the SMILES notation for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide?
The canonical SMILES for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide is CC(C)(C)OCCOCCNC=O.
What is the InChIKey of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide?
The InChIKey is GVBRHKYNLSPCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-9(2,3)13-7-6-12-5-4-10-8-11/h8H,4-7H2,1-3H3,(H,10,11).
What are the key properties of N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide?
N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide has a molecular weight of 189.25 g/mol, XLogP of 0.56, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]formamide is sourced from PubChem (CID 138534290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).