1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea

C23H25N3O2 — CID 11509064

IUPAC1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cccnc2OCc2ccccc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)18-11-13-19(14-12-18)25-22(27)26-20-10-7-15-24-21(20)28-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3,(H2,25,26,27)
InChIKeyWYJFPJRLEIYIJQ-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.60
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea

1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea (PubChem CID 11509064) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
PubChem CID11509064
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2cccnc2OCc2ccccc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)18-11-13-19(14-12-18)25-22(27)26-20-10-7-15-24-21(20)28-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3,(H2,25,26,27)
InChIKeyWYJFPJRLEIYIJQ-UHFFFAOYSA-N
XLogP5.60
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-tert-butylphenyl)-3-[2-(3-phenylphenoxy)-3-pyridinyl]urea
CID 68528476
2-[2-[[3-[(4-tert-butylphenyl)carbamoylamino]-2-pyridinyl]oxy]phenoxy]-3,3-dimethylbutanoic acid
CID 68533744
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 87486477
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(thiophen-3-ylmethoxy)phenyl]urea
CID 25214216
3-tert-butyl-2-phenylmethoxypyridine
CID 157173376
N-[2-[[4-(4-methylphenyl)phenyl]methoxy]-3-pyridinyl]benzamide
CID 140808958
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
1-(4-tert-butylphenyl)-3-(2-methylphenyl)urea
CID 58646099
3-amino-N-(2-phenylmethoxy-3-pyridinyl)pyrazine-2-carboxamide
CID 136525909
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 68533741

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea (CID 11509064) is 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea is CC(C)(C)c1ccc(NC(=O)Nc2cccnc2OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea?
The InChIKey is WYJFPJRLEIYIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)18-11-13-19(14-12-18)25-22(27)26-20-10-7-15-24-21(20)28-16-17-8-5-4-6-9-17/h4-15H,16H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea?
1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea has a molecular weight of 375.47 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea is sourced from PubChem (CID 11509064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).