2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide

C23H22N2O5 — CID 34224927

IUPAC2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H22N2O5/c26-20(14-25-9-7-23(8-10-25)29-11-12-30-23)24-15-5-6-18-19(13-15)22(28)17-4-2-1-3-16(17)21(18)27/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyIPMMTDAQNOJHBD-UHFFFAOYSA-N
MW406.44 g/mol
LogP2.24
Rot. Bonds3

About 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide (PubChem CID 34224927) has the molecular formula C23H22N2O5 and a molecular weight of 406.44 g/mol. Its IUPAC name is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
PubChem CID34224927
Molecular FormulaC23H22N2O5
Molecular Weight406.44 g/mol
Exact Mass406.15
IUPAC Name2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESO=C(CN1CCC2(CC1)OCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H22N2O5/c26-20(14-25-9-7-23(8-10-25)29-11-12-30-23)24-15-5-6-18-19(13-15)22(28)17-4-2-1-3-16(17)21(18)27/h1-6,13H,7-12,14H2,(H,24,26)
InChIKeyIPMMTDAQNOJHBD-UHFFFAOYSA-N
XLogP2.24
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468177
N-(3,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6468728
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-ethoxyphenyl)acetamide
CID 6469271
N-(2,6-diethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197328
N-(9,10-dioxoanthracen-2-yl)-2-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidin-1-yl]acetamide
CID 10482173
2-[4-(2-hydroxyanilino)piperidin-1-yl]-N-(9-oxofluoren-3-yl)acetamide
CID 24985384
N-(5-chloro-2-pyridinyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 6467673
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-methylphenyl)propanamide
CID 109028499
2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]-N-(9-oxofluoren-2-yl)acetamide
CID 98304323
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-[4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 16612015
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The IUPAC name of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide (CID 34224927) is 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide.
What is the SMILES notation for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The canonical SMILES for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide is O=C(CN1CCC2(CC1)OCCO2)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The InChIKey is IPMMTDAQNOJHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5/c26-20(14-25-9-7-23(8-10-25)29-11-12-30-23)24-15-5-6-18-19(13-15)22(28)17-4-2-1-3-16(17)21(18)27/h1-6,13H,7-12,14H2,(H,24,26).
What are the key properties of 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide?
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide has a molecular weight of 406.44 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(9,10-dioxoanthracen-2-yl)acetamide is sourced from PubChem (CID 34224927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).