[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea

C15H23N3O2 — CID 79927779

IUPAC[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
SMILESCC1(C)CC(Nc2ccc(NC(N)=O)cc2)C(C)(C)O1
InChIInChI=1S/C15H23N3O2/c1-14(2)9-12(15(3,4)20-14)17-10-5-7-11(8-6-10)18-13(16)19/h5-8,12,17H,9H2,1-4H3,(H3,16,18,19)
InChIKeyXEARHECSGFVPQS-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.94
Rot. Bonds3

About [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea

[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea (PubChem CID 79927779) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea.

Molecular Properties

Compound Name[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
PubChem CID79927779
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea
SMILESCC1(C)CC(Nc2ccc(NC(N)=O)cc2)C(C)(C)O1
InChIInChI=1S/C15H23N3O2/c1-14(2)9-12(15(3,4)20-14)17-10-5-7-11(8-6-10)18-13(16)19/h5-8,12,17H,9H2,1-4H3,(H3,16,18,19)
InChIKeyXEARHECSGFVPQS-UHFFFAOYSA-N
XLogP2.94
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea?
The IUPAC name of [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea (CID 79927779) is [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea.
What is the SMILES notation for [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea?
The canonical SMILES for [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea is CC1(C)CC(Nc2ccc(NC(N)=O)cc2)C(C)(C)O1.
What is the InChIKey of [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea?
The InChIKey is XEARHECSGFVPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-14(2)9-12(15(3,4)20-14)17-10-5-7-11(8-6-10)18-13(16)19/h5-8,12,17H,9H2,1-4H3,(H3,16,18,19).
What are the key properties of [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea?
[4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea has a molecular weight of 277.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2,2,5,5-tetramethyloxolan-3-yl)amino]phenyl]urea is sourced from PubChem (CID 79927779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).