4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

C22H31N3O4 — CID 46110761

IUPAC4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1COC2(CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H31N3O4/c26-20(23-11-12-24-13-15-28-16-14-24)19-17-29-22(9-5-2-6-10-22)25(19)21(27)18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,23,26)
InChIKeyBKQOZKRTUXTWJM-UHFFFAOYSA-N
MW401.51 g/mol
LogP1.64
Rot. Bonds5

About 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide

4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (PubChem CID 46110761) has the molecular formula C22H31N3O4 and a molecular weight of 401.51 g/mol. Its IUPAC name is 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
PubChem CID46110761
Molecular FormulaC22H31N3O4
Molecular Weight401.51 g/mol
Exact Mass401.23
IUPAC Name4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide
SMILESO=C(NCCN1CCOCC1)C1COC2(CCCCC2)N1C(=O)c1ccccc1
InChIInChI=1S/C22H31N3O4/c26-20(23-11-12-24-13-15-28-16-14-24)19-17-29-22(9-5-2-6-10-22)25(19)21(27)18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,23,26)
InChIKeyBKQOZKRTUXTWJM-UHFFFAOYSA-N
XLogP1.64
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-3-benzoyl-N-(2-morpholin-4-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 809655
(3R)-4-benzoyl-8-(2-methylbenzoyl)-N-propyl-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137292
(3S)-4-benzoyl-N-[2-(dimethylamino)ethyl]-8-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137163
(3R)-4-benzoyl-8-(4-chlorobenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 93137282
N-(2-morpholin-4-ylethyl)-2-oxo-2-phenylacetamide
CID 94274550
(3R)-4-benzoyl-N-benzyl-8-(4-methoxybenzoyl)-1-oxa-4,8-diazaspiro[4.5]decane-3-carboxamide
CID 97478123
phenyl-[(3S)-3-phenyl-1-oxa-4-azaspiro[4.4]nonan-4-yl]methanone
CID 10614697
N-(2-morpholin-4-ylethyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47717787
(3S)-4-(4-chlorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
CID 95657713
(2'R,3S)-1-benzoyl-N-(2-morpholin-4-ylethyl)spiro[2H-indole-3,4'-oxolane]-2'-carboxamide
CID 97440045
N-(2-morpholin-4-ylethylcarbamoyl)benzamide
CID 2987060
(2R,5R)-1-benzoyl-5-benzyl-2-methyl-N-(2-morpholin-4-ylethyl)-2H-pyrrole-5-carboxamide
CID 5459731

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The IUPAC name of 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide (CID 46110761) is 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide.
What is the SMILES notation for 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The canonical SMILES for 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is O=C(NCCN1CCOCC1)C1COC2(CCCCC2)N1C(=O)c1ccccc1.
What is the InChIKey of 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
The InChIKey is BKQOZKRTUXTWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4/c26-20(23-11-12-24-13-15-28-16-14-24)19-17-29-22(9-5-2-6-10-22)25(19)21(27)18-7-3-1-4-8-18/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,23,26).
What are the key properties of 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide?
4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(2-morpholin-4-ylethyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxamide is sourced from PubChem (CID 46110761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).