N-[3-(2-ethylhexoxy)propyl]formamide

C12H25NO2 — CID 20551265

IUPACN-[3-(2-ethylhexoxy)propyl]formamide
SMILESCCCCC(CC)COCCCNC=O
InChIInChI=1S/C12H25NO2/c1-3-5-7-12(4-2)10-15-9-6-8-13-11-14/h11-12H,3-10H2,1-2H3,(H,13,14)
InChIKeyMJXTWLBWMKHEHZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.36
Rot. Bonds11

About N-[3-(2-ethylhexoxy)propyl]formamide

N-[3-(2-ethylhexoxy)propyl]formamide (PubChem CID 20551265) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[3-(2-ethylhexoxy)propyl]formamide.

Molecular Properties

Compound NameN-[3-(2-ethylhexoxy)propyl]formamide
PubChem CID20551265
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-[3-(2-ethylhexoxy)propyl]formamide
SMILESCCCCC(CC)COCCCNC=O
InChIInChI=1S/C12H25NO2/c1-3-5-7-12(4-2)10-15-9-6-8-13-11-14/h11-12H,3-10H2,1-2H3,(H,13,14)
InChIKeyMJXTWLBWMKHEHZ-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[3-(2-ethylhexoxy)propyl]formamide?
The IUPAC name of N-[3-(2-ethylhexoxy)propyl]formamide (CID 20551265) is N-[3-(2-ethylhexoxy)propyl]formamide.
What is the SMILES notation for N-[3-(2-ethylhexoxy)propyl]formamide?
The canonical SMILES for N-[3-(2-ethylhexoxy)propyl]formamide is CCCCC(CC)COCCCNC=O.
What is the InChIKey of N-[3-(2-ethylhexoxy)propyl]formamide?
The InChIKey is MJXTWLBWMKHEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-3-5-7-12(4-2)10-15-9-6-8-13-11-14/h11-12H,3-10H2,1-2H3,(H,13,14).
What are the key properties of N-[3-(2-ethylhexoxy)propyl]formamide?
N-[3-(2-ethylhexoxy)propyl]formamide has a molecular weight of 215.34 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylhexoxy)propyl]formamide is sourced from PubChem (CID 20551265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).