2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C18H24N2O5 — CID 58265158

IUPAC2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CC1CC(=O)Oc2cc(O)ccc21)NCCCN1CCOCC1
InChIInChI=1S/C18H24N2O5/c21-14-2-3-15-13(11-18(23)25-16(15)12-14)10-17(22)19-4-1-5-20-6-8-24-9-7-20/h2-3,12-13,21H,1,4-11H2,(H,19,22)
InChIKeyUYOUDIFOZTZUND-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.01
Rot. Bonds6

About 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 58265158) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID58265158
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(CC1CC(=O)Oc2cc(O)ccc21)NCCCN1CCOCC1
InChIInChI=1S/C18H24N2O5/c21-14-2-3-15-13(11-18(23)25-16(15)12-14)10-17(22)19-4-1-5-20-6-8-24-9-7-20/h2-3,12-13,21H,1,4-11H2,(H,19,22)
InChIKeyUYOUDIFOZTZUND-UHFFFAOYSA-N
XLogP1.01
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
CID 97263755
2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 21205309
3-hydroxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 43236314
2-bromo-N-(3-morpholin-4-ylpropyl)acetamide
CID 52984035
2-(4-hydroxyphenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78823248
2-[4-(aminomethyl)cyclohexyl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 63611880
N-(3-morpholin-4-ylpropyl)-6-oxo-1H-pyridine-2-carboxamide
CID 107261436
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
2-(3-methyl-N-methylsulfonylanilino)-N-(3-morpholin-4-ylpropyl)acetamide
CID 6494051
N-[2-(6-hydroxy-3-methyl-2H-1,3-benzoxazol-2-yl)ethyl]-2-morpholin-4-ylacetamide
CID 54455379
2-[(4S)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 39034834

Frequently Asked Questions

What is the IUPAC name of 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 58265158) is 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(CC1CC(=O)Oc2cc(O)ccc21)NCCCN1CCOCC1.
What is the InChIKey of 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is UYOUDIFOZTZUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-14-2-3-15-13(11-18(23)25-16(15)12-14)10-17(22)19-4-1-5-20-6-8-24-9-7-20/h2-3,12-13,21H,1,4-11H2,(H,19,22).
What are the key properties of 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 348.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 58265158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).