N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide

C18H23N3O2 — CID 20885377

IUPACN-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1cccc2c1cnn2C(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13-6-5-9-16-15(13)12-19-21(16)18(23)11-10-17(22)20-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22)
InChIKeyXISXBOHMXAFTPM-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.21
Rot. Bonds4

About N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide

N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide (PubChem CID 20885377) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide
PubChem CID20885377
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1cccc2c1cnn2C(=O)CCC(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O2/c1-13-6-5-9-16-15(13)12-19-21(16)18(23)11-10-17(22)20-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22)
InChIKeyXISXBOHMXAFTPM-UHFFFAOYSA-N
XLogP3.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide (CID 20885377) is N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide is Cc1cccc2c1cnn2C(=O)CCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide?
The InChIKey is XISXBOHMXAFTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-5-9-16-15(13)12-19-21(16)18(23)11-10-17(22)20-14-7-3-2-4-8-14/h5-6,9,12,14H,2-4,7-8,10-11H2,1H3,(H,20,22).
What are the key properties of N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide?
N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide has a molecular weight of 313.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-methylindazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 20885377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).