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

C22H25N3O2 — CID 22510294

IUPACN-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCCc1ccc(CNC(=O)CCCC(=O)n2nc(C)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-3-17-11-13-18(14-12-17)15-23-21(26)9-6-10-22(27)25-20-8-5-4-7-19(20)16(2)24-25/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3,(H,23,26)
InChIKeyAXRWJPSBZZMGLD-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.03
Rot. Bonds7

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

N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510294) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510294
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCCc1ccc(CNC(=O)CCCC(=O)n2nc(C)c3ccccc32)cc1
InChIInChI=1S/C22H25N3O2/c1-3-17-11-13-18(14-12-17)15-23-21(26)9-6-10-22(27)25-20-8-5-4-7-19(20)16(2)24-25/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3,(H,23,26)
InChIKeyAXRWJPSBZZMGLD-UHFFFAOYSA-N
XLogP4.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide (CID 22510294) is N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide is CCc1ccc(CNC(=O)CCCC(=O)n2nc(C)c3ccccc32)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is AXRWJPSBZZMGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-3-17-11-13-18(14-12-17)15-23-21(26)9-6-10-22(27)25-20-8-5-4-7-19(20)16(2)24-25/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide has a molecular weight of 363.46 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).