[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

C17H20N4O4 — CID 2086118

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H20N4O4/c22-14(19-17(24)18-11-6-2-1-3-7-11)10-25-16(23)15-12-8-4-5-9-13(12)20-21-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21)(H2,18,19,22,24)
InChIKeySCFFCVWWFNVEPA-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.88
Rot. Bonds4

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (PubChem CID 2086118) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
PubChem CID2086118
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
SMILESO=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCCC1
InChIInChI=1S/C17H20N4O4/c22-14(19-17(24)18-11-6-2-1-3-7-11)10-25-16(23)15-12-8-4-5-9-13(12)20-21-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21)(H2,18,19,22,24)
InChIKeySCFFCVWWFNVEPA-UHFFFAOYSA-N
XLogP1.88
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate (CID 2086118) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
The InChIKey is SCFFCVWWFNVEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c22-14(19-17(24)18-11-6-2-1-3-7-11)10-25-16(23)15-12-8-4-5-9-13(12)20-21-15/h4-5,8-9,11H,1-3,6-7,10H2,(H,20,21)(H2,18,19,22,24).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate has a molecular weight of 344.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 2086118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).