1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione

C24H23NO4 — CID 42376886

IUPAC1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1)c1ccco1
InChIInChI=1S/C24H23NO4/c26-23(22-12-7-14-29-22)24(27)25-13-15-28-20(17-25)16-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,14,20-21H,13,15-17H2/t20-/m0/s1
InChIKeyDMNDPLIBKVPBCD-FQEVSTJZSA-N
MW389.45 g/mol
LogP3.91
Rot. Bonds6

About 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione

1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione (PubChem CID 42376886) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
PubChem CID42376886
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1)c1ccco1
InChIInChI=1S/C24H23NO4/c26-23(22-12-7-14-29-22)24(27)25-13-15-28-20(17-25)16-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,14,20-21H,13,15-17H2/t20-/m0/s1
InChIKeyDMNDPLIBKVPBCD-FQEVSTJZSA-N
XLogP3.91
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione with MolForge

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Related Compounds

1-(furan-2-yl)-2-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]ethane-1,2-dione
CID 42515268
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]pent-4-en-1-one
CID 25367584
cyclobutyl-[2-(2,2-diphenylethyl)morpholin-4-yl]methanone
CID 45196089
2-[2-(2,2-diphenylethyl)morpholin-4-yl]propane-1,3-diol
CID 56862185
3-[(2R)-2-(2,2-diphenylethyl)morpholin-4-yl]-N,N-dimethylpropanamide
CID 95468828
N-(cyclopropylmethyl)-N-[[4-(furan-2-carbonyl)morpholin-2-yl]methyl]benzamide
CID 42861686
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
(2S)-2-[[cyclopentyl(furan-2-carbonyl)amino]methyl]-N-phenylmorpholine-4-carboxamide
CID 92990179
(2R)-2-(2,2-diphenylethyl)-N,N-dimethylmorpholine-4-sulfonamide
CID 26412398
(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone
CID 74227391
2-benzyl-N-(1-cyclopropylethyl)morpholine-4-carboxamide
CID 75445413

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione?
The IUPAC name of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione (CID 42376886) is 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione is O=C(C(=O)N1CCO[C@@H](CC(c2ccccc2)c2ccccc2)C1)c1ccco1.
What is the InChIKey of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione?
The InChIKey is DMNDPLIBKVPBCD-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H23NO4/c26-23(22-12-7-14-29-22)24(27)25-13-15-28-20(17-25)16-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-12,14,20-21H,13,15-17H2/t20-/m0/s1.
What are the key properties of 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione?
1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione has a molecular weight of 389.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(2,2-diphenylethyl)morpholin-4-yl]-2-(furan-2-yl)ethane-1,2-dione is sourced from PubChem (CID 42376886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).