1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea

C9H20N2O2 — CID 103708258

IUPAC1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCCNC(=O)NC(CCO)C(C)C
InChIInChI=1S/C9H20N2O2/c1-4-10-9(13)11-8(5-6-12)7(2)3/h7-8,12H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyKUQJBDRPZDRJRO-UHFFFAOYSA-N
MW188.27 g/mol
LogP0.71
Rot. Bonds5

About 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea

1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea (PubChem CID 103708258) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
PubChem CID103708258
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea
SMILESCCNC(=O)NC(CCO)C(C)C
InChIInChI=1S/C9H20N2O2/c1-4-10-9(13)11-8(5-6-12)7(2)3/h7-8,12H,4-6H2,1-3H3,(H2,10,11,13)
InChIKeyKUQJBDRPZDRJRO-UHFFFAOYSA-N
XLogP0.71
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The IUPAC name of 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea (CID 103708258) is 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea is CCNC(=O)NC(CCO)C(C)C.
What is the InChIKey of 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea?
The InChIKey is KUQJBDRPZDRJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-4-10-9(13)11-8(5-6-12)7(2)3/h7-8,12H,4-6H2,1-3H3,(H2,10,11,13).
What are the key properties of 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea?
1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea has a molecular weight of 188.27 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-hydroxy-4-methylpentan-3-yl)urea is sourced from PubChem (CID 103708258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).