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

C24H27N3O2 — CID 68530343

IUPAC1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1cccnc1Oc1ccccc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-17(18-11-6-5-7-12-18)26-23(28)27-20-14-10-16-25-22(20)29-21-15-9-8-13-19(21)24(2,3)4/h5-17H,1-4H3,(H2,26,27,28)
InChIKeySNFOUSMVDIGPJW-UHFFFAOYSA-N
MW389.50 g/mol
LogP6.05
Rot. Bonds5

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

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea (PubChem CID 68530343) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
PubChem CID68530343
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
SMILESCC(NC(=O)Nc1cccnc1Oc1ccccc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H27N3O2/c1-17(18-11-6-5-7-12-18)26-23(28)27-20-14-10-16-25-22(20)29-21-15-9-8-13-19(21)24(2,3)4/h5-17H,1-4H3,(H2,26,27,28)
InChIKeySNFOUSMVDIGPJW-UHFFFAOYSA-N
XLogP6.05
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.50
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[1-(3-methoxyphenyl)ethyl]urea
CID 68534808
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[1-[[(1R)-1-phenylethyl]amino]ethyl]phenyl]urea
CID 68533741
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamoyl]-N-sulfanylbenzamide
CID 87204344
N-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamothioyl]benzamide
CID 59128801
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-bromo-2-fluorophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533805
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[(1-phenylcyclohexyl)methyl]urea
CID 68528904
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-2-(4-methylphenyl)acetamide
CID 68646027
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[[1-(1-phenylethyl)piperidin-4-yl]methoxy]phenyl]urea
CID 152744711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea (CID 68530343) is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea is CC(NC(=O)Nc1cccnc1Oc1ccccc1C(C)(C)C)c1ccccc1.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea?
The InChIKey is SNFOUSMVDIGPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17(18-11-6-5-7-12-18)26-23(28)27-20-14-10-16-25-22(20)29-21-15-9-8-13-19(21)24(2,3)4/h5-17H,1-4H3,(H2,26,27,28).
What are the key properties of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea?
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea has a molecular weight of 389.50 g/mol, XLogP of 6.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea is sourced from PubChem (CID 68530343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).