1-tert-butyl-3-(2-hydroxypropyl)urea

C8H18N2O2 — CID 43393061

IUPAC1-tert-butyl-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(11)5-9-7(12)10-8(2,3)4/h6,11H,5H2,1-4H3,(H2,9,10,12)
InChIKeyLVHYWUJZFCMXHQ-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.46
Rot. Bonds2

About 1-tert-butyl-3-(2-hydroxypropyl)urea

1-tert-butyl-3-(2-hydroxypropyl)urea (PubChem CID 43393061) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-hydroxypropyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-hydroxypropyl)urea
PubChem CID43393061
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name1-tert-butyl-3-(2-hydroxypropyl)urea
SMILESCC(O)CNC(=O)NC(C)(C)C
InChIInChI=1S/C8H18N2O2/c1-6(11)5-9-7(12)10-8(2,3)4/h6,11H,5H2,1-4H3,(H2,9,10,12)
InChIKeyLVHYWUJZFCMXHQ-UHFFFAOYSA-N
XLogP0.46
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(2-hydroxypropyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-hydroxypropyl)urea (CID 43393061) is 1-tert-butyl-3-(2-hydroxypropyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-hydroxypropyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-hydroxypropyl)urea is CC(O)CNC(=O)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-(2-hydroxypropyl)urea?
The InChIKey is LVHYWUJZFCMXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-6(11)5-9-7(12)10-8(2,3)4/h6,11H,5H2,1-4H3,(H2,9,10,12).
What are the key properties of 1-tert-butyl-3-(2-hydroxypropyl)urea?
1-tert-butyl-3-(2-hydroxypropyl)urea has a molecular weight of 174.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(2-hydroxypropyl)urea is sourced from PubChem (CID 43393061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).