1-(2-ethylhexyl)-3-propylurea

C12H26N2O — CID 19169942

IUPAC1-(2-ethylhexyl)-3-propylurea
SMILESCCCCC(CC)CNC(=O)NCCC
InChIInChI=1S/C12H26N2O/c1-4-7-8-11(6-3)10-14-12(15)13-9-5-2/h11H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyZDOXTDDHXXZLJC-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.91
Rot. Bonds8

About 1-(2-ethylhexyl)-3-propylurea

1-(2-ethylhexyl)-3-propylurea (PubChem CID 19169942) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-ethylhexyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-ethylhexyl)-3-propylurea
PubChem CID19169942
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-(2-ethylhexyl)-3-propylurea
SMILESCCCCC(CC)CNC(=O)NCCC
InChIInChI=1S/C12H26N2O/c1-4-7-8-11(6-3)10-14-12(15)13-9-5-2/h11H,4-10H2,1-3H3,(H2,13,14,15)
InChIKeyZDOXTDDHXXZLJC-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylhexyl)-3-propylurea?
The IUPAC name of 1-(2-ethylhexyl)-3-propylurea (CID 19169942) is 1-(2-ethylhexyl)-3-propylurea.
What is the SMILES notation for 1-(2-ethylhexyl)-3-propylurea?
The canonical SMILES for 1-(2-ethylhexyl)-3-propylurea is CCCCC(CC)CNC(=O)NCCC.
What is the InChIKey of 1-(2-ethylhexyl)-3-propylurea?
The InChIKey is ZDOXTDDHXXZLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-8-11(6-3)10-14-12(15)13-9-5-2/h11H,4-10H2,1-3H3,(H2,13,14,15).
What are the key properties of 1-(2-ethylhexyl)-3-propylurea?
1-(2-ethylhexyl)-3-propylurea has a molecular weight of 214.35 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylhexyl)-3-propylurea is sourced from PubChem (CID 19169942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).