1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea

C22H23N3O3 — CID 58659438

IUPAC1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(=O)[nH]c3)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-22(2,3)15-4-6-16(7-5-15)24-21(27)25-17-8-10-18(11-9-17)28-19-12-13-20(26)23-14-19/h4-14H,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyVMNANNANLUFFBJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.11
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea

1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea (PubChem CID 58659438) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea
PubChem CID58659438
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea
SMILESCC(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(=O)[nH]c3)cc2)cc1
InChIInChI=1S/C22H23N3O3/c1-22(2,3)15-4-6-16(7-5-15)24-21(27)25-17-8-10-18(11-9-17)28-19-12-13-20(26)23-14-19/h4-14H,1-3H3,(H,23,26)(H2,24,25,27)
InChIKeyVMNANNANLUFFBJ-UHFFFAOYSA-N
XLogP5.11
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 83549428
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1-(4-tert-butylphenyl)-3-(4,6-dimethyl-2-phenoxypyrimidin-5-yl)urea
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CID 108871893
1-(4-tert-butylphenyl)-3-(3,4-dimethoxyphenyl)urea
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N-[4-[4-[1-[4-(4-acetamidophenoxy)phenyl]-1-phenylethyl]phenoxy]phenyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea (CID 58659438) is 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea is CC(C)(C)c1ccc(NC(=O)Nc2ccc(Oc3ccc(=O)[nH]c3)cc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea?
The InChIKey is VMNANNANLUFFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-22(2,3)15-4-6-16(7-5-15)24-21(27)25-17-8-10-18(11-9-17)28-19-12-13-20(26)23-14-19/h4-14H,1-3H3,(H,23,26)(H2,24,25,27).
What are the key properties of 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea?
1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea has a molecular weight of 377.44 g/mol, XLogP of 5.11, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-[4-[(6-oxo-1H-pyridin-3-yl)oxy]phenyl]urea is sourced from PubChem (CID 58659438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).