1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea

C19H24N4O2 — CID 142715635

IUPAC1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESO=C(Nc1nccnc1OCc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C19H24N4O2/c24-19(22-16-10-6-1-2-7-11-16)23-17-18(21-13-12-20-17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H2,20,22,23,24)
InChIKeyDMGJJKWUWHCYOP-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.90
Rot. Bonds5

About 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea

1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea (PubChem CID 142715635) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea
PubChem CID142715635
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea
SMILESO=C(Nc1nccnc1OCc1ccccc1)NC1CCCCCC1
InChIInChI=1S/C19H24N4O2/c24-19(22-16-10-6-1-2-7-11-16)23-17-18(21-13-12-20-17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H2,20,22,23,24)
InChIKeyDMGJJKWUWHCYOP-UHFFFAOYSA-N
XLogP3.90
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea (CID 142715635) is 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea is O=C(Nc1nccnc1OCc1ccccc1)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
The InChIKey is DMGJJKWUWHCYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(22-16-10-6-1-2-7-11-16)23-17-18(21-13-12-20-17)25-14-15-8-4-3-5-9-15/h3-5,8-9,12-13,16H,1-2,6-7,10-11,14H2,(H2,20,22,23,24).
What are the key properties of 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea?
1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea has a molecular weight of 340.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(3-phenylmethoxypyrazin-2-yl)urea is sourced from PubChem (CID 142715635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).