1-butyl-1-tert-butyl-3-ethylurea

C11H24N2O — CID 54210210

IUPAC1-butyl-1-tert-butyl-3-ethylurea
SMILESCCCCN(C(=O)NCC)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-6-8-9-13(11(3,4)5)10(14)12-7-2/h6-9H2,1-5H3,(H,12,14)
InChIKeyPVKUJXAODPLQKD-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.62
Rot. Bonds4

About 1-butyl-1-tert-butyl-3-ethylurea

1-butyl-1-tert-butyl-3-ethylurea (PubChem CID 54210210) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-butyl-1-tert-butyl-3-ethylurea.

Molecular Properties

Compound Name1-butyl-1-tert-butyl-3-ethylurea
PubChem CID54210210
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-butyl-1-tert-butyl-3-ethylurea
SMILESCCCCN(C(=O)NCC)C(C)(C)C
InChIInChI=1S/C11H24N2O/c1-6-8-9-13(11(3,4)5)10(14)12-7-2/h6-9H2,1-5H3,(H,12,14)
InChIKeyPVKUJXAODPLQKD-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-1-tert-butyl-3-ethylurea?
The IUPAC name of 1-butyl-1-tert-butyl-3-ethylurea (CID 54210210) is 1-butyl-1-tert-butyl-3-ethylurea.
What is the SMILES notation for 1-butyl-1-tert-butyl-3-ethylurea?
The canonical SMILES for 1-butyl-1-tert-butyl-3-ethylurea is CCCCN(C(=O)NCC)C(C)(C)C.
What is the InChIKey of 1-butyl-1-tert-butyl-3-ethylurea?
The InChIKey is PVKUJXAODPLQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-8-9-13(11(3,4)5)10(14)12-7-2/h6-9H2,1-5H3,(H,12,14).
What are the key properties of 1-butyl-1-tert-butyl-3-ethylurea?
1-butyl-1-tert-butyl-3-ethylurea has a molecular weight of 200.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-1-tert-butyl-3-ethylurea is sourced from PubChem (CID 54210210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).