4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C21H30N2O4 — CID 71956686

IUPAC4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCc1ccc(C(=O)N2C(C(=O)NCCOC)COC23CCCCC3)cc1
InChIInChI=1S/C21H30N2O4/c1-3-16-7-9-17(10-8-16)20(25)23-18(19(24)22-13-14-26-2)15-27-21(23)11-5-4-6-12-21/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyXKKBYLIYEIJTDZ-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.51
Rot. Bonds6

About 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 71956686) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID71956686
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESCCc1ccc(C(=O)N2C(C(=O)NCCOC)COC23CCCCC3)cc1
InChIInChI=1S/C21H30N2O4/c1-3-16-7-9-17(10-8-16)20(25)23-18(19(24)22-13-14-26-2)15-27-21(23)11-5-4-6-12-21/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyXKKBYLIYEIJTDZ-UHFFFAOYSA-N
XLogP2.51
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-4,8-bis(4-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136999
N-(2-methoxyethyl)-4-(2-phenylacetyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71955880
8-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821075
8-(2-chlorobenzoyl)-N-(2-methoxyethyl)-4-(4-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 42821061
4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 71830358
(3R)-4-(3,5-difluorobenzoyl)-N-(2-methoxyethyl)-8-methyl-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 93144270
8-(4-ethylbenzoyl)-4-(3-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 71956660
(3S)-4-benzoyl-8-(2,4-difluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137389
(3S)-8-(4-chlorobenzoyl)-4-(3-methoxybenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138693
(3R)-N-benzyl-8-(4-ethylbenzoyl)-4-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93136893
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
CID 46110761
(3S)-8-(2-chlorobenzoyl)-4-(3-fluorobenzoyl)-N-(2-methoxyethyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93138533

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 71956686) is 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is CCc1ccc(C(=O)N2C(C(=O)NCCOC)COC23CCCCC3)cc1.
What is the InChIKey of 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is XKKBYLIYEIJTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-16-7-9-17(10-8-16)20(25)23-18(19(24)22-13-14-26-2)15-27-21(23)11-5-4-6-12-21/h7-10,18H,3-6,11-15H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylbenzoyl)-N-(2-methoxyethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 71956686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).