2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide

C18H22N2O5 — CID 6228876

IUPAC2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C18H22N2O5/c1-12-14-3-2-13(21)10-16(14)25-18(23)15(12)11-17(22)19-4-5-20-6-8-24-9-7-20/h2-3,10,21H,4-9,11H2,1H3,(H,19,22)
InChIKeyONPNPQPJZNYCAI-UHFFFAOYSA-N
MW346.38 g/mol
LogP0.80
Rot. Bonds5

About 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide

2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 6228876) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID6228876
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESCc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc(O)ccc12
InChIInChI=1S/C18H22N2O5/c1-12-14-3-2-13(21)10-16(14)25-18(23)15(12)11-17(22)19-4-5-20-6-8-24-9-7-20/h2-3,10,21H,4-9,11H2,1H3,(H,19,22)
InChIKeyONPNPQPJZNYCAI-UHFFFAOYSA-N
XLogP0.80
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(5,7-dihydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 6225544
N-(2-morpholin-4-ylethyl)-2-(2,2,6-trimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-7-yl)acetamide
CID 4869685
2-(7-methoxy-4,8-dimethyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4974013
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-phenylethyl)acetamide
CID 6229314
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-[2-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)ethyl]acetamide
CID 163092743
2-[4,8-dimethyl-7-(2-methylprop-2-enoxy)-2-oxochromen-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 8016148
N-[2-(2-fluorophenyl)ethyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 6229285
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetamide
CID 91637612
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
(2S)-2-[[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]amino]propanoic acid
CID 5417121
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(4-oxo-2,3-dihydrochromen-6-yl)acetamide
CID 167922839

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide (CID 6228876) is 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is Cc1c(CC(=O)NCCN2CCOCC2)c(=O)oc2cc(O)ccc12.
What is the InChIKey of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is ONPNPQPJZNYCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-12-14-3-2-13(21)10-16(14)25-18(23)15(12)11-17(22)19-4-5-20-6-8-24-9-7-20/h2-3,10,21H,4-9,11H2,1H3,(H,19,22).
What are the key properties of 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 346.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 6228876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).