1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea

C25H29N3O2 — CID 11560464

IUPAC1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
SMILESCC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
InChIKeyPRPFBJLQOIBXJQ-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.94
Rot. Bonds5

About 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea

1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea (PubChem CID 11560464) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
PubChem CID11560464
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC Name1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
SMILESCC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29)
InChIKeyPRPFBJLQOIBXJQ-UHFFFAOYSA-N
XLogP6.94
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11C-Pbr-28
CID 11653141
N-3-Pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)-1-piperidinecarboxamide
CID 25154867
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
N-pyridin-3-yl-4-[[3-[4-(trifluoromethyl)phenoxy]phenyl]methyl]piperidine-1-carboxamide
CID 145977816
2-(2-benzylphenoxy)-N-(6-methoxy-3-pyridinyl)acetamide
CID 4827681
N1-[2-(2-fluorophenoxy)-3-pyridyl]-3-phenylacrylamide
CID 5712983
N-(4-(Pyridin-4-ylmethyl)phenyl)-2-(o-tolyloxy)acetamide
CID 776732
1-(4-Tert-butylphenyl)-3-[2-[3-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11510223
1-[2-(2-Propan-2-ylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 11510273
1-(2,4-Difluorophenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea
CID 11531074
1-(2,4-Difluorophenyl)-3-[2-[2-(trifluoromethyl)phenoxy]pyridin-3-yl]urea
CID 11575089

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea (CID 11560464) is 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea is CC(C)c1ccccc1Oc1ncccc1NC(=O)Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
The InChIKey is PRPFBJLQOIBXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-17(2)20-9-6-7-11-22(20)30-23-21(10-8-16-26-23)28-24(29)27-19-14-12-18(13-15-19)25(3,4)5/h6-17H,1-5H3,(H2,27,28,29).
What are the key properties of 1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea?
1-(4-tert-butylphenyl)-3-[2-(2-propan-2-ylphenoxy)-3-pyridinyl]urea has a molecular weight of 403.53 g/mol, XLogP of 6.94, 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-(2-propan-2-ylphenoxy)-3-pyridinyl]urea is sourced from PubChem (CID 11560464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).