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

C29H29N3O3 — CID 68533651

IUPAC1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H29N3O3/c1-29(2,3)24-15-7-8-17-26(24)35-27-25(16-10-18-30-27)32-28(33)31-22-13-9-14-23(19-22)34-20-21-11-5-4-6-12-21/h4-19H,20H2,1-3H3,(H2,31,32,33)
InChIKeyNGSNSYYCDKLWHK-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.39
Rot. Bonds7

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

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea (PubChem CID 68533651) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
PubChem CID68533651
Molecular FormulaC29H29N3O3
Molecular Weight467.57 g/mol
Exact Mass467.22
IUPAC Name1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1cccc(OCc2ccccc2)c1
InChIInChI=1S/C29H29N3O3/c1-29(2,3)24-15-7-8-17-26(24)35-27-25(16-10-18-30-27)32-28(33)31-22-13-9-14-23(19-22)34-20-21-11-5-4-6-12-21/h4-19H,20H2,1-3H3,(H2,31,32,33)
InChIKeyNGSNSYYCDKLWHK-UHFFFAOYSA-N
XLogP7.39
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(naphthalen-2-ylmethoxy)phenyl]urea
CID 68531646
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-(2-phenyl-1-pyrrolidin-3-ylethoxy)phenyl]urea
CID 68534827
1-(4-aminophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68528210
1-[4-(4-aminobutoxy)phenyl]-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533711
1-(4-tert-butylphenyl)-3-(2-phenylmethoxy-3-pyridinyl)urea
CID 11509064
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-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 87486477
2-(2-tert-butylphenoxy)-N-[3-(pyridin-3-ylmethoxy)phenyl]acetamide
CID 55805039
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(1-phenylethyl)urea
CID 68530343

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea?
The IUPAC name of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea (CID 68533651) is 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea.
What is the SMILES notation for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea?
The canonical SMILES for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea is CC(C)(C)c1ccccc1Oc1ncccc1NC(=O)Nc1cccc(OCc2ccccc2)c1.
What is the InChIKey of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea?
The InChIKey is NGSNSYYCDKLWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-29(2,3)24-15-7-8-17-26(24)35-27-25(16-10-18-30-27)32-28(33)31-22-13-9-14-23(19-22)34-20-21-11-5-4-6-12-21/h4-19H,20H2,1-3H3,(H2,31,32,33).
What are the key properties of 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea?
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea has a molecular weight of 467.57 g/mol, XLogP of 7.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea is sourced from PubChem (CID 68533651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).