N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide

C21H29N3O5 — CID 131906371

IUPACN-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)CN(C(=O)CNC(C)=O)CCO2
InChIInChI=1S/C21H29N3O5/c1-3-28-18-7-5-4-6-17(18)20(27)23-10-8-21(9-11-23)15-24(12-13-29-21)19(26)14-22-16(2)25/h4-7H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyUFQRTOAOFBFGPP-UHFFFAOYSA-N
MW403.48 g/mol
LogP1.05
Rot. Bonds5

About N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide

N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide (PubChem CID 131906371) has the molecular formula C21H29N3O5 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide
PubChem CID131906371
Molecular FormulaC21H29N3O5
Molecular Weight403.48 g/mol
Exact Mass403.21
IUPAC NameN-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide
SMILESCCOc1ccccc1C(=O)N1CCC2(CC1)CN(C(=O)CNC(C)=O)CCO2
InChIInChI=1S/C21H29N3O5/c1-3-28-18-7-5-4-6-17(18)20(27)23-10-8-21(9-11-23)15-24(12-13-29-21)19(26)14-22-16(2)25/h4-7H,3,8-15H2,1-2H3,(H,22,25)
InChIKeyUFQRTOAOFBFGPP-UHFFFAOYSA-N
XLogP1.05
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide with MolForge

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Related Compounds

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
2-(cyclopropylmethylamino)-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 119715860
8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
[(3R,4R)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 72877584
2-ethoxy-N-[2-(9-methyl-6-azaspiro[3.5]nonan-6-yl)-2-oxoethyl]benzamide
CID 136520005
3-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119285201
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(2-ethoxyphenyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone
CID 95613064
(2S)-2-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119285208
4-amino-1-[4-(2-ethoxybenzoyl)piperazin-1-yl]-3-methoxybutan-1-one
CID 120588432

Frequently Asked Questions

What is the IUPAC name of N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide (CID 131906371) is N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide is CCOc1ccccc1C(=O)N1CCC2(CC1)CN(C(=O)CNC(C)=O)CCO2.
What is the InChIKey of N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide?
The InChIKey is UFQRTOAOFBFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O5/c1-3-28-18-7-5-4-6-17(18)20(27)23-10-8-21(9-11-23)15-24(12-13-29-21)19(26)14-22-16(2)25/h4-7H,3,8-15H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide?
N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 131906371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).