N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide

C27H22N2O6 — CID 18837778

IUPACN-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C27H22N2O6/c30-23(16-35-18-10-8-17(9-11-18)27(33)29-12-14-34-15-13-29)28-22-7-3-6-21-24(22)26(32)20-5-2-1-4-19(20)25(21)31/h1-11H,12-16H2,(H,28,30)
InChIKeyNLFODEKJUQRENB-UHFFFAOYSA-N
MW470.48 g/mol
LogP2.95
Rot. Bonds5

About N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide

N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide (PubChem CID 18837778) has the molecular formula C27H22N2O6 and a molecular weight of 470.48 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide
PubChem CID18837778
Molecular FormulaC27H22N2O6
Molecular Weight470.48 g/mol
Exact Mass470.15
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide
SMILESO=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C27H22N2O6/c30-23(16-35-18-10-8-17(9-11-18)27(33)29-12-14-34-15-13-29)28-22-7-3-6-21-24(22)26(32)20-5-2-1-4-19(20)25(21)31/h1-11H,12-16H2,(H,28,30)
InChIKeyNLFODEKJUQRENB-UHFFFAOYSA-N
XLogP2.95
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 52.95
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

2-[4-(morpholine-4-carbonyl)phenoxy]-N-phenylacetamide
CID 18837739
2-[4-(morpholine-4-carbonyl)phenoxy]-N-(2-phenoxyphenyl)acetamide
CID 18837764
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 3683273
3-morpholin-4-yl-N-[5-(3-morpholin-4-ylpropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide
CID 10815829
2-(1,3-benzodioxol-5-yloxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 17310325
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] pyridine-4-carboxylate
CID 3592243
2-(3-methyl-4-propan-2-ylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 35326706
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 7871910
2-(4-chlorophenoxy)-N-(2-morpholin-4-ylphenyl)acetamide
CID 1078563
N-(2-chlorophenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 6491403
2-[4-(morpholine-4-carbonyl)anilino]-N-[4-(3-phenylpropoxy)phenyl]acetamide
CID 54832122
N-(9,10-dioxoanthracen-1-yl)-2-piperidin-1-ylacetamide
CID 3849711

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide (CID 18837778) is N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide is O=C(COc1ccc(C(=O)N2CCOCC2)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide?
The InChIKey is NLFODEKJUQRENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O6/c30-23(16-35-18-10-8-17(9-11-18)27(33)29-12-14-34-15-13-29)28-22-7-3-6-21-24(22)26(32)20-5-2-1-4-19(20)25(21)31/h1-11H,12-16H2,(H,28,30).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide has a molecular weight of 470.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-[4-(morpholine-4-carbonyl)phenoxy]acetamide is sourced from PubChem (CID 18837778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).