1-butan-2-yl-3-ethylurea

C7H16N2O — CID 11423662

IUPAC1-butan-2-yl-3-ethylurea
SMILESCCNC(=O)NC(C)CC
InChIInChI=1S/C7H16N2O/c1-4-6(3)9-7(10)8-5-2/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyALBAPVBGZOGMPY-UHFFFAOYSA-N
MW144.22 g/mol
LogP1.10
Rot. Bonds3

About 1-butan-2-yl-3-ethylurea

1-butan-2-yl-3-ethylurea (PubChem CID 11423662) has the molecular formula C7H16N2O and a molecular weight of 144.22 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethylurea.

Molecular Properties

Compound Name1-butan-2-yl-3-ethylurea
PubChem CID11423662
Molecular FormulaC7H16N2O
Molecular Weight144.22 g/mol
Exact Mass144.13
IUPAC Name1-butan-2-yl-3-ethylurea
SMILESCCNC(=O)NC(C)CC
InChIInChI=1S/C7H16N2O/c1-4-6(3)9-7(10)8-5-2/h6H,4-5H2,1-3H3,(H2,8,9,10)
InChIKeyALBAPVBGZOGMPY-UHFFFAOYSA-N
XLogP1.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethylurea?
The IUPAC name of 1-butan-2-yl-3-ethylurea (CID 11423662) is 1-butan-2-yl-3-ethylurea.
What is the SMILES notation for 1-butan-2-yl-3-ethylurea?
The canonical SMILES for 1-butan-2-yl-3-ethylurea is CCNC(=O)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethylurea?
The InChIKey is ALBAPVBGZOGMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O/c1-4-6(3)9-7(10)8-5-2/h6H,4-5H2,1-3H3,(H2,8,9,10).
What are the key properties of 1-butan-2-yl-3-ethylurea?
1-butan-2-yl-3-ethylurea has a molecular weight of 144.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethylurea is sourced from PubChem (CID 11423662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).