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

C22H25N3O3 — CID 22510410

IUPACN-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCCOc1ccc(CNC(=O)CCCC(=O)n2ncc3cc(C)ccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-3-28-19-10-8-17(9-11-19)14-23-21(26)5-4-6-22(27)25-20-12-7-16(2)13-18(20)15-24-25/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)
InChIKeyNGVUCNULXWJFCQ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.87
Rot. Bonds8

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

N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510410) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510410
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide
SMILESCCOc1ccc(CNC(=O)CCCC(=O)n2ncc3cc(C)ccc32)cc1
InChIInChI=1S/C22H25N3O3/c1-3-28-19-10-8-17(9-11-19)14-23-21(26)5-4-6-22(27)25-20-12-7-16(2)13-18(20)15-24-25/h7-13,15H,3-6,14H2,1-2H3,(H,23,26)
InChIKeyNGVUCNULXWJFCQ-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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Related Compounds

2-(4-(benzyloxy)phenyl)-N-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-6-yl)acetamide
CID 11775399
2-(4-Benzyloxy-phenyl)-N-[2-(2-pyrrolidin-1-yl-ethyl)-2H-indazol-6-yl]-acetamide
CID 11190261
2-(4-Benzyloxy-phenyl)-N-[1-(2-pyrrolidin-1-yl-ethyl)-2H-indazol-4-yl]-acetamide
CID 11282448
1-(4-Phenoxy-benzyl)-3-[1-(2-pyrrolidin-1-yl-ethyl)-1H-indazol-6-yl]-urea
CID 11396908
2-[4-(benzyloxy)phenyl]-N-[1-(2-pyrrolidin-1-ylethyl)-1H-indazol-4-yl]acetamide
CID 11419666
N-[[1-(2-Methoxyphenyl)-1H-indazol-5-yl]methyl]-2-propylpentanamide
CID 44250034
N-[[1-(4-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 44250105
4-(3,5-dimethylphenoxy)-5-(indazol-1-ylmethyl)-3-iodo-6-methyl-1H-pyridin-2-one
CID 44596563
N-[[1-(3-methoxyphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45268412
N-[[1-(6-methoxy-3-pyridinyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270116
N-(1-ethylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 48995254
N-(2-methylindazol-6-yl)-2-(2-methylphenoxy)acetamide
CID 155516305

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide (CID 22510410) is N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is CCOc1ccc(CNC(=O)CCCC(=O)n2ncc3cc(C)ccc32)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is NGVUCNULXWJFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-19-10-8-17(9-11-19)14-23-21(26)5-4-6-22(27)25-20-12-7-16(2)13-18(20)15-24-25/h7-13,15H,3-6,14H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide?
N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide 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 N-[(4-ethoxyphenyl)methyl]-5-(5-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).