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

C23H25N3O2 — CID 11675204

IUPAC1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H25N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
InChIKeyAMCMFGQXEMTEHT-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.12
Rot. Bonds4

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

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea (PubChem CID 11675204) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea
PubChem CID11675204
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1
InChIInChI=1S/C23H25N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27)
InChIKeyAMCMFGQXEMTEHT-UHFFFAOYSA-N
XLogP6.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Cb-103
CID 2735289
11C-Pbr-28
CID 11653141
N-(2-methoxybenzyl)-N-(4-phenoxypyridin-3-yl)acetamide
CID 9841240
1-(2-(2-Tert-butylphenoxy)pyridin-3-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 11510579
1-(3-Benzyloxy-2-pyridyl)-3-phenyl-urea
CID 3663276
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68529738
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[2-(hydroxymethyl)phenyl]phenyl]urea
CID 68530013
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[4-[3-[(dimethylamino)methyl]phenyl]-2-fluorophenyl]urea
CID 68530403
Methyl 1-[4-[[2-(2-tert-butylphenoxy)-3-pyridinyl]carbamoylamino]phenyl]cyclopropane-1-carboxylate
CID 68531462
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-(2-fluoro-4-morpholin-4-ylphenyl)urea
CID 68531481
1-[2-(2-Tert-butylphenoxy)-3-pyridinyl]-3-[2-fluoro-4-[[1-(3-methylbutyl)piperidin-4-yl]methoxy]phenyl]urea
CID 68531609

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea (CID 11675204) is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)cc1.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea?
The InChIKey is AMCMFGQXEMTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-11-13-17(14-12-16)25-22(27)26-19-9-7-15-24-21(19)28-20-10-6-5-8-18(20)23(2,3)4/h5-15H,1-4H3,(H2,25,26,27).
What are the key properties of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea?
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(4-methylphenyl)urea has a molecular weight of 375.47 g/mol, XLogP of 6.12, 4 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-(4-methylphenyl)urea is sourced from PubChem (CID 11675204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).