1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea

C27H25N3O2 — CID 152746535

IUPAC1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea
SMILESO=C(NCc1ccc(OCCc2ccccc2-c2ccccc2)cc1)Nc1ccncc1
InChIInChI=1S/C27H25N3O2/c31-27(30-24-14-17-28-18-15-24)29-20-21-10-12-25(13-11-21)32-19-16-23-8-4-5-9-26(23)22-6-2-1-3-7-22/h1-15,17-18H,16,19-20H2,(H2,28,29,30,31)
InChIKeySEHUGBUFAMCAIE-UHFFFAOYSA-N
MW423.52 g/mol
LogP5.69
Rot. Bonds8

About 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea

1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea (PubChem CID 152746535) has the molecular formula C27H25N3O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea.

Molecular Properties

Compound Name1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea
PubChem CID152746535
Molecular FormulaC27H25N3O2
Molecular Weight423.52 g/mol
Exact Mass423.19
IUPAC Name1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea
SMILESO=C(NCc1ccc(OCCc2ccccc2-c2ccccc2)cc1)Nc1ccncc1
InChIInChI=1S/C27H25N3O2/c31-27(30-24-14-17-28-18-15-24)29-20-21-10-12-25(13-11-21)32-19-16-23-8-4-5-9-26(23)22-6-2-1-3-7-22/h1-15,17-18H,16,19-20H2,(H2,28,29,30,31)
InChIKeySEHUGBUFAMCAIE-UHFFFAOYSA-N
XLogP5.69
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.52
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyridin-1-ium-3-yl)methyl]-3-[4-[2-(2-phenylphenyl)ethoxy]phenyl]urea
CID 123207671
1-[4-[2-[2-(3-methoxyphenyl)phenyl]ethoxy]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 123644948
1-[4-[2-(2-phenylphenyl)ethoxy]phenyl]-4-pyridin-4-ylbutan-2-one
CID 158757957
1-pyridin-4-yl-3-[(4-pyridin-4-yloxyphenyl)methyl]urea
CID 118293299
1-[4-[2-[2-[3-(piperazin-1-ylmethyl)phenyl]phenyl]ethoxy]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 123330803
methyl 2-[[3-[[[4-[2-(2-phenylphenyl)ethoxy]phenyl]carbamoylamino]methyl]pyridin-1-ium-1-yl]methoxycarbonylamino]acetate
CID 72944376
1-(4-phenylphenyl)-3-(3-pyridin-4-yloxypropyl)urea
CID 166219931
1-benzyl-3-[4-[(2-phenylphenyl)methylsulfonyl]phenyl]urea
CID 160890022
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
1-[[4-[2-(2-phenylphenyl)acetyl]phenyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 158717342
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea?
The IUPAC name of 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea (CID 152746535) is 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea.
What is the SMILES notation for 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea?
The canonical SMILES for 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea is O=C(NCc1ccc(OCCc2ccccc2-c2ccccc2)cc1)Nc1ccncc1.
What is the InChIKey of 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea?
The InChIKey is SEHUGBUFAMCAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O2/c31-27(30-24-14-17-28-18-15-24)29-20-21-10-12-25(13-11-21)32-19-16-23-8-4-5-9-26(23)22-6-2-1-3-7-22/h1-15,17-18H,16,19-20H2,(H2,28,29,30,31).
What are the key properties of 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea?
1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea has a molecular weight of 423.52 g/mol, XLogP of 5.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(2-phenylphenyl)ethoxy]phenyl]methyl]-3-pyridin-4-ylurea is sourced from PubChem (CID 152746535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).