3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea

C18H26N4O2 — CID 177155731

IUPAC3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
SMILESCCC(CC)c1ccc2c(N(CCC=O)C(=O)NC)nn(C)c2c1
InChIInChI=1S/C18H26N4O2/c1-5-13(6-2)14-8-9-15-16(12-14)21(4)20-17(15)22(10-7-11-23)18(24)19-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,24)
InChIKeyUDEMIGUIEWFYMD-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.21
Rot. Bonds7

About 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea

3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea (PubChem CID 177155731) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
PubChem CID177155731
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea
SMILESCCC(CC)c1ccc2c(N(CCC=O)C(=O)NC)nn(C)c2c1
InChIInChI=1S/C18H26N4O2/c1-5-13(6-2)14-8-9-15-16(12-14)21(4)20-17(15)22(10-7-11-23)18(24)19-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,24)
InChIKeyUDEMIGUIEWFYMD-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
The IUPAC name of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea (CID 177155731) is 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea.
What is the SMILES notation for 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
The canonical SMILES for 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea is CCC(CC)c1ccc2c(N(CCC=O)C(=O)NC)nn(C)c2c1.
What is the InChIKey of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
The InChIKey is UDEMIGUIEWFYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-5-13(6-2)14-8-9-15-16(12-14)21(4)20-17(15)22(10-7-11-23)18(24)19-3/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,24).
What are the key properties of 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea?
3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea has a molecular weight of 330.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-6-pentan-3-ylindazol-3-yl)-1-(3-oxopropyl)urea is sourced from PubChem (CID 177155731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).