1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea

C12H26N2O2 — CID 88882702

IUPAC1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea
SMILESCCOC(C)CN(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-7-16-11(6)8-14(10(4)5)12(15)13-9(2)3/h9-11H,7-8H2,1-6H3,(H,13,15)
InChIKeyROOQUWUNZCOPGP-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.24
Rot. Bonds6

About 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea

1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea (PubChem CID 88882702) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea
PubChem CID88882702
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea
SMILESCCOC(C)CN(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C12H26N2O2/c1-7-16-11(6)8-14(10(4)5)12(15)13-9(2)3/h9-11H,7-8H2,1-6H3,(H,13,15)
InChIKeyROOQUWUNZCOPGP-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea?
The IUPAC name of 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea (CID 88882702) is 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea is CCOC(C)CN(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea?
The InChIKey is ROOQUWUNZCOPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-7-16-11(6)8-14(10(4)5)12(15)13-9(2)3/h9-11H,7-8H2,1-6H3,(H,13,15).
What are the key properties of 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea?
1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea has a molecular weight of 230.35 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxypropyl)-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 88882702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).