4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

C18H24N2O5 — CID 75360381

IUPAC4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCOc1ccccc1C(=O)N1C(C(=O)O)COC12CCN(C)CC2
InChIInChI=1S/C18H24N2O5/c1-3-24-15-7-5-4-6-13(15)16(21)20-14(17(22)23)12-25-18(20)8-10-19(2)11-9-18/h4-7,14H,3,8-12H2,1-2H3,(H,22,23)
InChIKeySHGBGGQZLUKVRR-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.43
Rot. Bonds4

About 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid

4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 75360381) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID75360381
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCOc1ccccc1C(=O)N1C(C(=O)O)COC12CCN(C)CC2
InChIInChI=1S/C18H24N2O5/c1-3-24-15-7-5-4-6-13(15)16(21)20-14(17(22)23)12-25-18(20)8-10-19(2)11-9-18/h4-7,14H,3,8-12H2,1-2H3,(H,22,23)
InChIKeySHGBGGQZLUKVRR-UHFFFAOYSA-N
XLogP1.43
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-8-tert-butyl-4-(2-ethoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95658569
(3S)-8-tert-butyl-4-(2-ethoxybenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95658568
(3R)-4-(2-methoxybenzoyl)-8-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658374
4-(furan-2-carbonyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360343
(3R)-8-methyl-4-(naphthalene-2-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658048
(3S)-8-propyl-4-[2-(trifluoromethyl)benzoyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658401
(3S)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658061
(3R)-4-(3-methoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95658062
4-(3,5-difluorobenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 75360373
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
1-[4-(2-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 78795110

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 75360381) is 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is CCOc1ccccc1C(=O)N1C(C(=O)O)COC12CCN(C)CC2.
What is the InChIKey of 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is SHGBGGQZLUKVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-3-24-15-7-5-4-6-13(15)16(21)20-14(17(22)23)12-25-18(20)8-10-19(2)11-9-18/h4-7,14H,3,8-12H2,1-2H3,(H,22,23).
What are the key properties of 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid?
4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxybenzoyl)-8-methyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 75360381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).