5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide

C25H28N2O4 — CID 141124358

IUPAC5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
SMILESCC(C)NC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2C1=O
InChIInChI=1S/C25H28N2O4/c1-17(2)26-25(29)23-22(18-6-4-3-5-7-18)20-9-8-19(16-21(20)24(23)28)31-15-12-27-10-13-30-14-11-27/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)
InChIKeyNFDHBPDDCKRKRF-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.92
Rot. Bonds7

About 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide

5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide (PubChem CID 141124358) has the molecular formula C25H28N2O4 and a molecular weight of 420.51 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
PubChem CID141124358
Molecular FormulaC25H28N2O4
Molecular Weight420.51 g/mol
Exact Mass420.20
IUPAC Name5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide
SMILESCC(C)NC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2C1=O
InChIInChI=1S/C25H28N2O4/c1-17(2)26-25(29)23-22(18-6-4-3-5-7-18)20-9-8-19(16-21(20)24(23)28)31-15-12-27-10-13-30-14-11-27/h3-9,16-17H,10-15H2,1-2H3,(H,26,29)
InChIKeyNFDHBPDDCKRKRF-UHFFFAOYSA-N
XLogP2.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenylindene-2-carboxylate
CID 68697506
2-methoxycarbonyl-N-methyl-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11524635
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-4-ylinden-1-one
CID 51002189
2-(3,4-difluorophenyl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002326
N-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-imine oxide
CID 11684115
6-(2-morpholin-4-ylethoxy)-3-phenyl-2-quinolin-3-ylinden-1-one
CID 51002188
2-(1-benzothiophen-3-yl)-6-(2-morpholin-4-ylethoxy)-3-phenylinden-1-one
CID 51002094
5-(2-morpholin-4-ylethoxy)-3-phenyl-2-pyridin-3-ylinden-1-one
CID 51002145
3-(4-chlorophenyl)-6-(2-morpholin-4-ylethoxy)-2-pyridin-3-ylinden-1-one
CID 51002367
3,5-bis(2-morpholin-4-ylethoxy)fluoren-9-one
CID 57066277
2-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]inden-1-one
CID 10341464
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969

Frequently Asked Questions

What is the IUPAC name of 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide?
The IUPAC name of 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide (CID 141124358) is 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide.
What is the SMILES notation for 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide?
The canonical SMILES for 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide is CC(C)NC(=O)C1=C(c2ccccc2)c2ccc(OCCN3CCOCC3)cc2C1=O.
What is the InChIKey of 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide?
The InChIKey is NFDHBPDDCKRKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4/c1-17(2)26-25(29)23-22(18-6-4-3-5-7-18)20-9-8-19(16-21(20)24(23)28)31-15-12-27-10-13-30-14-11-27/h3-9,16-17H,10-15H2,1-2H3,(H,26,29).
What are the key properties of 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide?
5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethoxy)-3-oxo-1-phenyl-N-propan-2-ylindene-2-carboxamide is sourced from PubChem (CID 141124358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).