N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

C23H25N2O5+ — CID 7633718

IUPACN-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCC[NH+]1CCOCC1
InChIInChI=1S/C23H24N2O5/c26-22(24-8-9-25-10-12-28-13-11-25)16-29-18-6-7-19-20(17-4-2-1-3-5-17)15-23(27)30-21(19)14-18/h1-7,14-15H,8-13,16H2,(H,24,26)/p+1
InChIKeyLROZLOXDLXIOFD-UHFFFAOYSA-O
MW409.46 g/mol
LogP0.87
Rot. Bonds7

About N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide

N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (PubChem CID 7633718) has the molecular formula C23H25N2O5+ and a molecular weight of 409.46 g/mol. Its IUPAC name is N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
PubChem CID7633718
Molecular FormulaC23H25N2O5+
Molecular Weight409.46 g/mol
Exact Mass409.18
IUPAC NameN-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCC[NH+]1CCOCC1
InChIInChI=1S/C23H24N2O5/c26-22(24-8-9-25-10-12-28-13-11-25)16-29-18-6-7-19-20(17-4-2-1-3-5-17)15-23(27)30-21(19)14-18/h1-7,14-15H,8-13,16H2,(H,24,26)/p+1
InChIKeyLROZLOXDLXIOFD-UHFFFAOYSA-O
XLogP0.87
TPSA82.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.46
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7633293
N-methyl-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]acetamide
CID 8806134
N-(2-morpholin-4-ium-4-ylethyl)-2-(4-phenylphenoxy)acetamide
CID 7746055
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 8951439
4-[[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 3337153
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2R)-2-phenylpropyl]acetamide
CID 7996357
2-(2-oxo-4-phenylchromen-7-yl)oxy-N-[(2S)-2-phenylpropyl]acetamide
CID 7996359
N-(butylcarbamoyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 8636135
(2R)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]propanoic acid
CID 5428805
N-(1,3-dioxoisoindol-2-yl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 155543658
(2S)-2-[[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]amino]-3-phenylpropanoic acid
CID 1194304
ethyl N-[2-(2-oxo-4-phenylchromen-7-yl)oxyacetyl]carbamate
CID 7996380

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The IUPAC name of N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide (CID 7633718) is N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The canonical SMILES for N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCC[NH+]1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
The InChIKey is LROZLOXDLXIOFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H24N2O5/c26-22(24-8-9-25-10-12-28-13-11-25)16-29-18-6-7-19-20(17-4-2-1-3-5-17)15-23(27)30-21(19)14-18/h1-7,14-15H,8-13,16H2,(H,24,26)/p+1.
What are the key properties of N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide?
N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide has a molecular weight of 409.46 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide is sourced from PubChem (CID 7633718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).