4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide

C20H21N3O2 — CID 22510249

IUPAC4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESCc1nn(C(=O)CCC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-15-17-9-5-6-10-18(17)23(22-15)20(25)12-11-19(24)21-14-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyPFASMPVXCADZCP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.12
Rot. Bonds6

About 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide

4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide (PubChem CID 22510249) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide
PubChem CID22510249
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide
SMILESCc1nn(C(=O)CCC(=O)NCCc2ccccc2)c2ccccc12
InChIInChI=1S/C20H21N3O2/c1-15-17-9-5-6-10-18(17)23(22-15)20(25)12-11-19(24)21-14-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,24)
InChIKeyPFASMPVXCADZCP-UHFFFAOYSA-N
XLogP3.12
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The IUPAC name of 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide (CID 22510249) is 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The canonical SMILES for 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide is Cc1nn(C(=O)CCC(=O)NCCc2ccccc2)c2ccccc12.
What is the InChIKey of 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide?
The InChIKey is PFASMPVXCADZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-15-17-9-5-6-10-18(17)23(22-15)20(25)12-11-19(24)21-14-13-16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,24).
What are the key properties of 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide?
4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide has a molecular weight of 335.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylindazol-1-yl)-4-oxo-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 22510249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).