N-(2-ethylhexyl)formamide

C9H19NO — CID 18451672

IUPACN-(2-ethylhexyl)formamide
SMILESCCCCC(CC)CNC=O
InChIInChI=1S/C9H19NO/c1-3-5-6-9(4-2)7-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
InChIKeyFYAPFJUXEXGCIG-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.95
Rot. Bonds7

About N-(2-ethylhexyl)formamide

N-(2-ethylhexyl)formamide (PubChem CID 18451672) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-(2-ethylhexyl)formamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)formamide
PubChem CID18451672
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-(2-ethylhexyl)formamide
SMILESCCCCC(CC)CNC=O
InChIInChI=1S/C9H19NO/c1-3-5-6-9(4-2)7-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11)
InChIKeyFYAPFJUXEXGCIG-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)formamide?
The IUPAC name of N-(2-ethylhexyl)formamide (CID 18451672) is N-(2-ethylhexyl)formamide.
What is the SMILES notation for N-(2-ethylhexyl)formamide?
The canonical SMILES for N-(2-ethylhexyl)formamide is CCCCC(CC)CNC=O.
What is the InChIKey of N-(2-ethylhexyl)formamide?
The InChIKey is FYAPFJUXEXGCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-5-6-9(4-2)7-10-8-11/h8-9H,3-7H2,1-2H3,(H,10,11).
What are the key properties of N-(2-ethylhexyl)formamide?
N-(2-ethylhexyl)formamide has a molecular weight of 157.26 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)formamide is sourced from PubChem (CID 18451672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).