[8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

C22H30N2O4 — CID 71957209

IUPAC[8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1C(=O)N1C(C(=O)N2CCOCC2)COC12CCC(C)CC2
InChIInChI=1S/C22H30N2O4/c1-16-7-9-22(10-8-16)24(20(25)18-6-4-3-5-17(18)2)19(15-28-22)21(26)23-11-13-27-14-12-23/h3-6,16,19H,7-15H2,1-2H3
InChIKeyNMRKOSACYNDJOU-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.60
Rot. Bonds2

About [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone

[8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (PubChem CID 71957209) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
PubChem CID71957209
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name[8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone
SMILESCc1ccccc1C(=O)N1C(C(=O)N2CCOCC2)COC12CCC(C)CC2
InChIInChI=1S/C22H30N2O4/c1-16-7-9-22(10-8-16)24(20(25)18-6-4-3-5-17(18)2)19(15-28-22)21(26)23-11-13-27-14-12-23/h3-6,16,19H,7-15H2,1-2H3
InChIKeyNMRKOSACYNDJOU-UHFFFAOYSA-N
XLogP2.60
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone (CID 71957209) is [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is Cc1ccccc1C(=O)N1C(C(=O)N2CCOCC2)COC12CCC(C)CC2.
What is the InChIKey of [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
The InChIKey is NMRKOSACYNDJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-16-7-9-22(10-8-16)24(20(25)18-6-4-3-5-17(18)2)19(15-28-22)21(26)23-11-13-27-14-12-23/h3-6,16,19H,7-15H2,1-2H3.
What are the key properties of [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone?
[8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone has a molecular weight of 386.49 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-4-(2-methylbenzoyl)-1-oxa-4-azaspiro[4.5]decan-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 71957209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).