N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide

C21H23N3O3 — CID 22510293

IUPACN-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCOc1ccc(CNC(=O)CCCC(=O)n2nc(C)c3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-15-18-6-3-4-7-19(18)24(23-15)21(26)9-5-8-20(25)22-14-16-10-12-17(27-2)13-11-16/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,22,25)
InChIKeyZFXMVJHVLBRNOG-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.48
Rot. Bonds7

About N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide

N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510293) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510293
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCOc1ccc(CNC(=O)CCCC(=O)n2nc(C)c3ccccc32)cc1
InChIInChI=1S/C21H23N3O3/c1-15-18-6-3-4-7-19(18)24(23-15)21(26)9-5-8-20(25)22-14-16-10-12-17(27-2)13-11-16/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,22,25)
InChIKeyZFXMVJHVLBRNOG-UHFFFAOYSA-N
XLogP3.48
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide (CID 22510293) is N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide is COc1ccc(CNC(=O)CCCC(=O)n2nc(C)c3ccccc32)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is ZFXMVJHVLBRNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-18-6-3-4-7-19(18)24(23-15)21(26)9-5-8-20(25)22-14-16-10-12-17(27-2)13-11-16/h3-4,6-7,10-13H,5,8-9,14H2,1-2H3,(H,22,25).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 365.43 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).