(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one

C22H26N2O2 — CID 126202963

IUPAC(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
SMILESCCN(CC)c1ccc(/C=C2/C(=O)N(CC)c3ccccc32)c(OC)c1
InChIInChI=1S/C22H26N2O2/c1-5-23(6-2)17-13-12-16(21(15-17)26-4)14-19-18-10-8-9-11-20(18)24(7-3)22(19)25/h8-15H,5-7H2,1-4H3/b19-14+
InChIKeyWVYBFCWCNXLOGM-XMHGGMMESA-N
MW350.46 g/mol
LogP4.45
Rot. Bonds6

About (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one

(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one (PubChem CID 126202963) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one.

Molecular Properties

Compound Name(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
PubChem CID126202963
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one
SMILESCCN(CC)c1ccc(/C=C2/C(=O)N(CC)c3ccccc32)c(OC)c1
InChIInChI=1S/C22H26N2O2/c1-5-23(6-2)17-13-12-16(21(15-17)26-4)14-19-18-10-8-9-11-20(18)24(7-3)22(19)25/h8-15H,5-7H2,1-4H3/b19-14+
InChIKeyWVYBFCWCNXLOGM-XMHGGMMESA-N
XLogP4.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2,5-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126120168
(3Z)-3-[(4,5-dimethoxy-2-methylphenyl)methylidene]-1-ethylindol-2-one
CID 126119662
(3E)-3-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126204603
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(2,4-diethoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117097
(3Z)-1-ethyl-3-[(4-methoxyphenyl)methylidene]indol-2-one
CID 58795351
(3Z)-3-[(3,5-dibromo-2-methoxyphenyl)methylidene]-1-ethylindol-2-one
CID 126117481
(3Z)-3-[(6-methoxy-1,3-benzodioxol-5-yl)methylidene]-1-propylindol-2-one
CID 126125874
(5E)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 2187343
5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-(furan-2-ylmethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1304154
(5E)-1-(2,3-dichlorophenyl)-5-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 126104621
(3Z)-1-ethyl-3-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]indol-2-one
CID 126126889

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one?
The IUPAC name of (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one (CID 126202963) is (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one.
What is the SMILES notation for (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one?
The canonical SMILES for (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one is CCN(CC)c1ccc(/C=C2/C(=O)N(CC)c3ccccc32)c(OC)c1.
What is the InChIKey of (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one?
The InChIKey is WVYBFCWCNXLOGM-XMHGGMMESA-N. The full InChI is InChI=1S/C22H26N2O2/c1-5-23(6-2)17-13-12-16(21(15-17)26-4)14-19-18-10-8-9-11-20(18)24(7-3)22(19)25/h8-15H,5-7H2,1-4H3/b19-14+.
What are the key properties of (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one?
(3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one has a molecular weight of 350.46 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[4-(diethylamino)-2-methoxyphenyl]methylidene]-1-ethylindol-2-one is sourced from PubChem (CID 126202963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).