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

C10H22N2O2 — CID 13451874

IUPAC1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea
SMILESCOCCN(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)11-10(13)12(9(3)4)6-7-14-5/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeyVHUBGPMQKBFFPP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.46
Rot. Bonds5

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

1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea (PubChem CID 13451874) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea
PubChem CID13451874
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea
SMILESCOCCN(C(=O)NC(C)C)C(C)C
InChIInChI=1S/C10H22N2O2/c1-8(2)11-10(13)12(9(3)4)6-7-14-5/h8-9H,6-7H2,1-5H3,(H,11,13)
InChIKeyVHUBGPMQKBFFPP-UHFFFAOYSA-N
XLogP1.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea?
The IUPAC name of 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea (CID 13451874) is 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea.
What is the SMILES notation for 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea?
The canonical SMILES for 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea is COCCN(C(=O)NC(C)C)C(C)C.
What is the InChIKey of 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea?
The InChIKey is VHUBGPMQKBFFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-8(2)11-10(13)12(9(3)4)6-7-14-5/h8-9H,6-7H2,1-5H3,(H,11,13).
What are the key properties of 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea?
1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea has a molecular weight of 202.30 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1,3-di(propan-2-yl)urea is sourced from PubChem (CID 13451874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).