2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one

C20H29N3O3 — CID 146066920

IUPAC2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
SMILESCCOc1ccccc1C(=O)N1CCC2(C1)CN(C(C)C)CCC(=O)N2
InChIInChI=1S/C20H29N3O3/c1-4-26-17-8-6-5-7-16(17)19(25)23-12-10-20(14-23)13-22(15(2)3)11-9-18(24)21-20/h5-8,15H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyDAELTQXPETZVTO-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.90
Rot. Bonds4

About 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one

2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one (PubChem CID 146066920) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one.

Molecular Properties

Compound Name2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
PubChem CID146066920
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one
SMILESCCOc1ccccc1C(=O)N1CCC2(C1)CN(C(C)C)CCC(=O)N2
InChIInChI=1S/C20H29N3O3/c1-4-26-17-8-6-5-7-16(17)19(25)23-12-10-20(14-23)13-22(15(2)3)11-9-18(24)21-20/h5-8,15H,4,9-14H2,1-3H3,(H,21,24)
InChIKeyDAELTQXPETZVTO-UHFFFAOYSA-N
XLogP1.90
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-(2-ethoxybenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 47017588
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(2-ethoxyphenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304464
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110
(4-benzhydrylpiperazin-1-yl)-(2-ethoxyphenyl)methanone
CID 1070537
(3S)-3-[4-(2-ethoxybenzoyl)piperazin-1-yl]butanenitrile
CID 94498277
7-chloro-1'-(2-ethoxybenzoyl)spiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 53169517
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(2-ethoxyphenyl)methanone
CID 53192403
(5R)-7-methyl-2-(2-propoxybenzoyl)-2,7-diazaspiro[4.5]decan-6-one
CID 95201542
N-[2-[9-(2-ethoxybenzoyl)-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl]-2-oxoethyl]acetamide
CID 131906371

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
The IUPAC name of 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one (CID 146066920) is 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one.
What is the SMILES notation for 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
The canonical SMILES for 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one is CCOc1ccccc1C(=O)N1CCC2(C1)CN(C(C)C)CCC(=O)N2.
What is the InChIKey of 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
The InChIKey is DAELTQXPETZVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-4-26-17-8-6-5-7-16(17)19(25)23-12-10-20(14-23)13-22(15(2)3)11-9-18(24)21-20/h5-8,15H,4,9-14H2,1-3H3,(H,21,24).
What are the key properties of 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one?
2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one has a molecular weight of 359.47 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybenzoyl)-10-propan-2-yl-2,6,10-triazaspiro[4.6]undecan-7-one is sourced from PubChem (CID 146066920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).