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

C24H27N2O5+ — CID 7633293

IUPAC(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C24H26N2O5/c1-17(24(28)25-9-10-26-11-13-29-14-12-26)30-19-7-8-20-21(18-5-3-2-4-6-18)16-23(27)31-22(20)15-19/h2-8,15-17H,9-14H2,1H3,(H,25,28)/p+1/t17-/m0/s1
InChIKeyRUNJEDIDWGMGLU-KRWDZBQOSA-O
MW423.49 g/mol
LogP1.26
Rot. Bonds7

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

(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (PubChem CID 7633293) has the molecular formula C24H27N2O5+ and a molecular weight of 423.49 g/mol. Its IUPAC name is (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
PubChem CID7633293
Molecular FormulaC24H27N2O5+
Molecular Weight423.49 g/mol
Exact Mass423.19
IUPAC Name(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESC[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC[NH+]1CCOCC1
InChIInChI=1S/C24H26N2O5/c1-17(24(28)25-9-10-26-11-13-29-14-12-26)30-19-7-8-20-21(18-5-3-2-4-6-18)16-23(27)31-22(20)15-19/h2-8,15-17H,9-14H2,1H3,(H,25,28)/p+1/t17-/m0/s1
InChIKeyRUNJEDIDWGMGLU-KRWDZBQOSA-O
XLogP1.26
TPSA82.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxyacetamide
CID 7633718
(2S)-N-(3-hydroxypropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 7095334
(2S)-N-[3-(dimethylamino)propyl]-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
CID 8015794
4-[[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 982177
2-[[2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235109
2-[[2-[[(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]acetyl]amino]acetic acid
CID 42235111
(2S)-2-(2-oxo-4-phenylchromen-7-yl)oxy-N-(pyridin-2-ylmethyl)propanamide
CID 7070060
7-[(2R)-3-oxobutan-2-yl]oxy-4-phenylchromen-2-one
CID 2325271
(2R)-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-2-phenylacetate
CID 7896865
2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]-2-phenylacetate
CID 5054539
(2R)-3-methyl-2-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoylamino]butanoic acid
CID 75490946
(2R)-2-[[(2R)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]amino]-3-phenylpropanoic acid
CID 1194318

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The IUPAC name of (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (CID 7633293) is (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.
What is the SMILES notation for (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The canonical SMILES for (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is C[C@H](Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCC[NH+]1CCOCC1.
What is the InChIKey of (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The InChIKey is RUNJEDIDWGMGLU-KRWDZBQOSA-O. The full InChI is InChI=1S/C24H26N2O5/c1-17(24(28)25-9-10-26-11-13-29-14-12-26)30-19-7-8-20-21(18-5-3-2-4-6-18)16-23(27)31-22(20)15-19/h2-8,15-17H,9-14H2,1H3,(H,25,28)/p+1/t17-/m0/s1.
What are the key properties of (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
(2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide has a molecular weight of 423.49 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-morpholin-4-ium-4-ylethyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 7633293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).