N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide

C17H22N2O4 — CID 97263755

IUPACN-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
SMILESO=C(C[C@@H]1CC(=O)Oc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C17H22N2O4/c20-16(18-5-6-19-7-9-22-10-8-19)11-13-12-17(21)23-15-4-2-1-3-14(13)15/h1-4,13H,5-12H2,(H,18,20)/t13-/m1/s1
InChIKeyAGLQIDHTKFBKBA-CYBMUJFWSA-N
MW318.37 g/mol
LogP0.92
Rot. Bonds5

About N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide

N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide (PubChem CID 97263755) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
PubChem CID97263755
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide
SMILESO=C(C[C@@H]1CC(=O)Oc2ccccc21)NCCN1CCOCC1
InChIInChI=1S/C17H22N2O4/c20-16(18-5-6-19-7-9-22-10-8-19)11-13-12-17(21)23-15-4-2-1-3-14(13)15/h1-4,13H,5-12H2,(H,18,20)/t13-/m1/s1
InChIKeyAGLQIDHTKFBKBA-CYBMUJFWSA-N
XLogP0.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-2H-chromen-4-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110680430
2-(7-hydroxy-2-oxo-3,4-dihydrochromen-4-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 58265158
N-(2-morpholin-4-ylethyl)-2-[(2R)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 92667177
2-(1,3-dioxoisoindol-2-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 4629546
2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
2-(2-chlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 17217479
2-(2-aminophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 16782251
2-[(2S)-2-ethyl-3-oxo-1,4-benzoxazin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 92696140
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 108994922
N-(2-morpholin-4-ylethyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 3240979
1-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-3-[2-(1,4-oxazepan-4-yl)ethyl]urea
CID 99823466
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 51359423

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide (CID 97263755) is N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide is O=C(C[C@@H]1CC(=O)Oc2ccccc21)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide?
The InChIKey is AGLQIDHTKFBKBA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H22N2O4/c20-16(18-5-6-19-7-9-22-10-8-19)11-13-12-17(21)23-15-4-2-1-3-14(13)15/h1-4,13H,5-12H2,(H,18,20)/t13-/m1/s1.
What are the key properties of N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide?
N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide has a molecular weight of 318.37 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-[(4R)-2-oxo-3,4-dihydrochromen-4-yl]acetamide is sourced from PubChem (CID 97263755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).