2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide

C20H28N2O3 — CID 136520005

IUPAC2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCC(C)C2(CCC2)C1
InChIInChI=1S/C20H28N2O3/c1-3-25-17-8-5-4-7-16(17)19(24)21-13-18(23)22-12-9-15(2)20(14-22)10-6-11-20/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,24)
InChIKeyREIJTBJSNCKNTL-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.85
Rot. Bonds5

About 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide

2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide (PubChem CID 136520005) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
PubChem CID136520005
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)N1CCC(C)C2(CCC2)C1
InChIInChI=1S/C20H28N2O3/c1-3-25-17-8-5-4-7-16(17)19(24)21-13-18(23)22-12-9-15(2)20(14-22)10-6-11-20/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,24)
InChIKeyREIJTBJSNCKNTL-UHFFFAOYSA-N
XLogP2.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 27670539
2-ethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 7494427
2-ethoxy-N-[4-(4-methylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 36841911
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
3-[1-[2-[(2-ethoxybenzoyl)amino]acetyl]piperidin-3-yl]propanoic acid
CID 120536602
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-ethoxybenzamide
CID 51160741
[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7807864
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 35647240
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
2-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzamide
CID 36866031
2-ethoxy-N-[2-[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 24552245
ethyl 2-[(2-ethoxybenzoyl)amino]acetate
CID 4056517

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide?
The IUPAC name of 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide (CID 136520005) is 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide is CCOc1ccccc1C(=O)NCC(=O)N1CCC(C)C2(CCC2)C1.
What is the InChIKey of 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide?
The InChIKey is REIJTBJSNCKNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-3-25-17-8-5-4-7-16(17)19(24)21-13-18(23)22-12-9-15(2)20(14-22)10-6-11-20/h4-5,7-8,15H,3,6,9-14H2,1-2H3,(H,21,24).
What are the key properties of 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide?
2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide has a molecular weight of 344.45 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 136520005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).