4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

C22H25N3O3 — CID 22510225

IUPAC4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
SMILESCCCOc1ccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-3-12-28-19-7-5-17(6-8-19)14-23-21(26)10-11-22(27)25-20-9-4-16(2)13-18(20)15-24-25/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,26)
InChIKeyWNAOQYVQDNZMOB-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.87
Rot. Bonds8

About 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide

4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide (PubChem CID 22510225) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
PubChem CID22510225
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide
SMILESCCCOc1ccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-3-12-28-19-7-5-17(6-8-19)14-23-21(26)10-11-22(27)25-20-9-4-16(2)13-18(20)15-24-25/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,26)
InChIKeyWNAOQYVQDNZMOB-UHFFFAOYSA-N
XLogP3.87
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide?
The IUPAC name of 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide (CID 22510225) is 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide.
What is the SMILES notation for 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide?
The canonical SMILES for 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide is CCCOc1ccc(CNC(=O)CCC(=O)n2ncc3cc(C)ccc32)cc1.
What is the InChIKey of 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide?
The InChIKey is WNAOQYVQDNZMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-12-28-19-7-5-17(6-8-19)14-23-21(26)10-11-22(27)25-20-9-4-16(2)13-18(20)15-24-25/h4-9,13,15H,3,10-12,14H2,1-2H3,(H,23,26).
What are the key properties of 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide?
4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide has a molecular weight of 379.46 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylindazol-1-yl)-4-oxo-N-[(4-propoxyphenyl)methyl]butanamide is sourced from PubChem (CID 22510225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).