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

C7H16N2O2 — CID 2731520

IUPAC1-tert-butyl-3-(2-hydroxyethyl)urea
SMILESCC(C)(C)NC(=O)NCCO
InChIInChI=1S/C7H16N2O2/c1-7(2,3)9-6(11)8-4-5-10/h10H,4-5H2,1-3H3,(H2,8,9,11)
InChIKeyAVPJNLYWMUHKJP-UHFFFAOYSA-N
MW160.22 g/mol
LogP0.08
Rot. Bonds2

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

1-tert-butyl-3-(2-hydroxyethyl)urea (PubChem CID 2731520) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-tert-butyl-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-tert-butyl-3-(2-hydroxyethyl)urea
PubChem CID2731520
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC Name1-tert-butyl-3-(2-hydroxyethyl)urea
SMILESCC(C)(C)NC(=O)NCCO
InChIInChI=1S/C7H16N2O2/c1-7(2,3)9-6(11)8-4-5-10/h10H,4-5H2,1-3H3,(H2,8,9,11)
InChIKeyAVPJNLYWMUHKJP-UHFFFAOYSA-N
XLogP0.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.08
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-hydroxyethyl)urea?
The IUPAC name of 1-tert-butyl-3-(2-hydroxyethyl)urea (CID 2731520) is 1-tert-butyl-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-tert-butyl-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-tert-butyl-3-(2-hydroxyethyl)urea is CC(C)(C)NC(=O)NCCO.
What is the InChIKey of 1-tert-butyl-3-(2-hydroxyethyl)urea?
The InChIKey is AVPJNLYWMUHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2/c1-7(2,3)9-6(11)8-4-5-10/h10H,4-5H2,1-3H3,(H2,8,9,11).
What are the key properties of 1-tert-butyl-3-(2-hydroxyethyl)urea?
1-tert-butyl-3-(2-hydroxyethyl)urea has a molecular weight of 160.22 g/mol, XLogP of 0.08, 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-hydroxyethyl)urea is sourced from PubChem (CID 2731520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).