N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide

C22H25N3O3 — CID 22510284

IUPACN-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCCOc1ccccc1CNC(=O)CCCC(=O)n1nc(C)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-3-28-20-12-7-4-9-17(20)15-23-21(26)13-8-14-22(27)25-19-11-6-5-10-18(19)16(2)24-25/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,23,26)
InChIKeyPHOCCBOMWWMDPH-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.87
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide

N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide (PubChem CID 22510284) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
PubChem CID22510284
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
SMILESCCOc1ccccc1CNC(=O)CCCC(=O)n1nc(C)c2ccccc21
InChIInChI=1S/C22H25N3O3/c1-3-28-20-12-7-4-9-17(20)15-23-21(26)13-8-14-22(27)25-19-11-6-5-10-18(19)16(2)24-25/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,23,26)
InChIKeyPHOCCBOMWWMDPH-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

N-[(4-methoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide
CID 22510293
N-cyclohexyl-5-(3-methylindazol-1-yl)-5-oxopentanamide
CID 22510243
3-amino-N-[(2-ethoxyphenyl)methyl]propanamide
CID 82677450
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-phenylindazol-1-yl)propanamide
CID 92667288
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
2-amino-N-[(2-ethoxyphenyl)methyl]acetamide;hydrochloride
CID 119279613
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-ethoxyphenyl)methyl]propanamide
CID 60566048
N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
4-[3,4-dimethyl-2-(4-methylphenyl)-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(2-ethoxyphenyl)methyl]butanamide
CID 20919942
N-[(2-ethoxyphenyl)methyl]-4-(7-methyl-4-oxo-2-phenyl-3-pyrrol-1-ylpyrazolo[3,4-d]pyridazin-5-yl)butanamide
CID 50784355
1-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-[(2-ethoxyphenyl)methyl]urea
CID 146124549

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide (CID 22510284) is N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide is CCOc1ccccc1CNC(=O)CCCC(=O)n1nc(C)c2ccccc21.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
The InChIKey is PHOCCBOMWWMDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-28-20-12-7-4-9-17(20)15-23-21(26)13-8-14-22(27)25-19-11-6-5-10-18(19)16(2)24-25/h4-7,9-12H,3,8,13-15H2,1-2H3,(H,23,26).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide?
N-[(2-ethoxyphenyl)methyl]-5-(3-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-[(2-ethoxyphenyl)methyl]-5-(3-methylindazol-1-yl)-5-oxopentanamide is sourced from PubChem (CID 22510284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).