2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione

C27H24N2O5 — CID 1249770

IUPAC2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione
SMILESO=C(COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1)N1CCOCC1
InChIInChI=1S/C27H24N2O5/c30-24(29-14-16-33-17-15-29)18-34-21-12-10-20(11-13-21)28-27(19-6-2-1-3-7-19)25(31)22-8-4-5-9-23(22)26(27)32/h1-13,28H,14-18H2
InChIKeyDYKFKSCMKBIILQ-UHFFFAOYSA-N
MW456.50 g/mol
LogP3.31
Rot. Bonds6

About 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione

2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione (PubChem CID 1249770) has the molecular formula C27H24N2O5 and a molecular weight of 456.50 g/mol. Its IUPAC name is 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione.

Molecular Properties

Compound Name2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione
PubChem CID1249770
Molecular FormulaC27H24N2O5
Molecular Weight456.50 g/mol
Exact Mass456.17
IUPAC Name2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione
SMILESO=C(COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1)N1CCOCC1
InChIInChI=1S/C27H24N2O5/c30-24(29-14-16-33-17-15-29)18-34-21-12-10-20(11-13-21)28-27(19-6-2-1-3-7-19)25(31)22-8-4-5-9-23(22)26(27)32/h1-13,28H,14-18H2
InChIKeyDYKFKSCMKBIILQ-UHFFFAOYSA-N
XLogP3.31
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.50
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]benzamide
CID 9252709
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide
CID 7203468
1-morpholin-4-yl-2-[4-[(E)-(phenylhydrazinylidene)methyl]phenoxy]ethanone
CID 126022835
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]acetamide;hydrate
CID 139069446
methyl N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]carbamate
CID 2923381
2-(4-hydroxyphenoxy)-1-morpholin-4-ylethanone
CID 43143408
2-(4-methylphenoxy)-1-morpholin-4-ylethanone
CID 674914
2-(3-chloro-4-morpholin-4-ylanilino)-2-phenylindene-1,3-dione
CID 5298366
2-[4-(3-aminopropylamino)phenoxy]-1-morpholin-4-ylethanone
CID 117097700
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiomorpholine-4-carboxamide
CID 118776743
2-[[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1-benzothiophen-3-one
CID 1103813
N-[4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-2-pyridin-3-ylacetamide
CID 131931518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione?
The IUPAC name of 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione (CID 1249770) is 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione.
What is the SMILES notation for 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione?
The canonical SMILES for 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione is O=C(COc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1)N1CCOCC1.
What is the InChIKey of 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione?
The InChIKey is DYKFKSCMKBIILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5/c30-24(29-14-16-33-17-15-29)18-34-21-12-10-20(11-13-21)28-27(19-6-2-1-3-7-19)25(31)22-8-4-5-9-23(22)26(27)32/h1-13,28H,14-18H2.
What are the key properties of 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione?
2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione has a molecular weight of 456.50 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-morpholin-4-yl-2-oxoethoxy)anilino]-2-phenylindene-1,3-dione is sourced from PubChem (CID 1249770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).