1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea

C22H24N4O2 — CID 68528210

IUPAC1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)17-7-4-5-9-19(17)28-20-18(8-6-14-24-20)26-21(27)25-16-12-10-15(23)11-13-16/h4-14H,23H2,1-3H3,(H2,25,26,27)
InChIKeyURQCWDFAIREBLI-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.40
Rot. Bonds4

About 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea

1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea (PubChem CID 68528210) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
PubChem CID68528210
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)17-7-4-5-9-19(17)28-20-18(8-6-14-24-20)26-21(27)25-16-12-10-15(23)11-13-16/h4-14H,23H2,1-3H3,(H2,25,26,27)
InChIKeyURQCWDFAIREBLI-UHFFFAOYSA-N
XLogP5.40
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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-[4-(4-aminobutoxy)phenyl]-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533711
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 68533741
1-[4-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamoylamino]phenyl]cyclohexane-1-carboxylic acid
CID 141131004
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(1H-imidazol-5-yl)phenyl]urea
CID 167752993
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(thiophen-3-ylmethoxy)phenyl]urea
CID 25214216
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
1-[2-[2-(2-methoxypropan-2-yl)phenoxy]-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 68529987
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343
1-(4-bromo-2-fluorophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533805
1-[6-(2-tert-butylanilino)-3-pyridinyl]-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea;1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[6-[2-(trifluoromethyl)phenoxy]-3-pyridinyl]urea
CID 87791359

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea (CID 68528210) is 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea is CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(N)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea?
The InChIKey is URQCWDFAIREBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)17-7-4-5-9-19(17)28-20-18(8-6-14-24-20)26-21(27)25-16-12-10-15(23)11-13-16/h4-14H,23H2,1-3H3,(H2,25,26,27).
What are the key properties of 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea?
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea has a molecular weight of 376.46 g/mol, XLogP of 5.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 68528210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).