1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea

C20H25N3O2 — CID 72545663

IUPAC1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ncccc1OCc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C20H25N3O2/c24-20(22-17-11-6-1-2-7-12-17)23-19-18(13-8-14-21-19)25-15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H2,21,22,23,24)
InChIKeyBIXVEOOFHSHUJL-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.50
Rot. Bonds5

About 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea

1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea (PubChem CID 72545663) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea
PubChem CID72545663
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea
SMILESO=C(Nc1ncccc1OCc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C20H25N3O2/c24-20(22-17-11-6-1-2-7-12-17)23-19-18(13-8-14-21-19)25-15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H2,21,22,23,24)
InChIKeyBIXVEOOFHSHUJL-UHFFFAOYSA-N
XLogP4.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
The IUPAC name of 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea (CID 72545663) is 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
The canonical SMILES for 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea is O=C(Nc1ncccc1OCc1ccccc1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
The InChIKey is BIXVEOOFHSHUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c24-20(22-17-11-6-1-2-7-12-17)23-19-18(13-8-14-21-19)25-15-16-9-4-3-5-10-16/h3-5,8-10,13-14,17H,1-2,6-7,11-12,15H2,(H2,21,22,23,24).
What are the key properties of 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea?
1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea has a molecular weight of 339.44 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3-phenylmethoxy-2-pyridinyl)urea is sourced from PubChem (CID 72545663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).