1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea

C22H23N3O2 — CID 25114576

IUPAC1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)16-5-4-6-18(15-16)25-21(26)24-17-7-9-19(10-8-17)27-20-11-13-23-14-12-20/h4-15H,1-3H3,(H2,24,25,26)
InChIKeyRRGOFRYRKFCNKT-UHFFFAOYSA-N
MW361.45 g/mol
LogP5.82
Rot. Bonds4

About 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea

1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea (PubChem CID 25114576) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea.

Molecular Properties

Compound Name1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
PubChem CID25114576
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea
SMILESCC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1
InChIInChI=1S/C22H23N3O2/c1-22(2,3)16-5-4-6-18(15-16)25-21(26)24-17-7-9-19(10-8-17)27-20-11-13-23-14-12-20/h4-15H,1-3H3,(H2,24,25,26)
InChIKeyRRGOFRYRKFCNKT-UHFFFAOYSA-N
XLogP5.82
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.45
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-(Pyridin-4-yloxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 15942672
N-((4-((2-aminopyridin-4-yl)oxy)-3-fluorophenyl)carbamoyl)-2-(4-fluorophenyl)acetamide
CID 17748441
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
CT-2450
CID 9955864
nicotinaldehyde O-4-(decyloxy)phenylcarbamoyl oxime
CID 20872720
nicotinaldehyde O-4-(dodecyloxy)phenylcarbamoyl oxime
CID 20872721
nicotinaldehyde O-4-(nonyloxy)phenylcarbamoyl oxime
CID 20872725
nicotinaldehyde O-4-(octyloxy)phenylcarbamoyl oxime
CID 20872726
nicotinaldehyde O-4-(undecyloxy)phenylcarbamoyl oxime
CID 20872732
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
Pyridoimidazolone, 5p
CID 42626338
Pyridoimidazolone, 5r
CID 42626339

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The IUPAC name of 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea (CID 25114576) is 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea.
What is the SMILES notation for 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The canonical SMILES for 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea is CC(C)(C)c1cccc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)c1.
What is the InChIKey of 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
The InChIKey is RRGOFRYRKFCNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-22(2,3)16-5-4-6-18(15-16)25-21(26)24-17-7-9-19(10-8-17)27-20-11-13-23-14-12-20/h4-15H,1-3H3,(H2,24,25,26).
What are the key properties of 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea?
1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea has a molecular weight of 361.45 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylphenyl)-3-(4-pyridin-4-yloxyphenyl)urea is sourced from PubChem (CID 25114576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).