1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

C18H28N4O2 — CID 71915980

IUPAC1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCCOC1CC(NC(=O)NC2CCc3[nH]ncc3C2)C12CCCC2
InChIInChI=1S/C18H28N4O2/c1-2-24-16-10-15(18(16)7-3-4-8-18)21-17(23)20-13-5-6-14-12(9-13)11-19-22-14/h11,13,15-16H,2-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyUMXWFIBJGBOMMS-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.30
Rot. Bonds4

About 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea

1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (PubChem CID 71915980) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
PubChem CID71915980
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea
SMILESCCOC1CC(NC(=O)NC2CCc3[nH]ncc3C2)C12CCCC2
InChIInChI=1S/C18H28N4O2/c1-2-24-16-10-15(18(16)7-3-4-8-18)21-17(23)20-13-5-6-14-12(9-13)11-19-22-14/h11,13,15-16H,2-10H2,1H3,(H,19,22)(H2,20,21,23)
InChIKeyUMXWFIBJGBOMMS-UHFFFAOYSA-N
XLogP2.30
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The IUPAC name of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea (CID 71915980) is 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea.
What is the SMILES notation for 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The canonical SMILES for 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is CCOC1CC(NC(=O)NC2CCc3[nH]ncc3C2)C12CCCC2.
What is the InChIKey of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
The InChIKey is UMXWFIBJGBOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-2-24-16-10-15(18(16)7-3-4-8-18)21-17(23)20-13-5-6-14-12(9-13)11-19-22-14/h11,13,15-16H,2-10H2,1H3,(H,19,22)(H2,20,21,23).
What are the key properties of 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea?
1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea has a molecular weight of 332.45 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyspiro[3.4]octan-1-yl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-yl)urea is sourced from PubChem (CID 71915980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).