(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one

C25H25NO2 — CID 126120865

IUPAC(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCCOc1ccc2ccccc2c1/C=C1\C(=O)N(CC(C)C)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-4-28-24-14-13-18-9-5-6-10-19(18)21(24)15-22-20-11-7-8-12-23(20)26(25(22)27)16-17(2)3/h5-15,17H,4,16H2,1-3H3/b22-15-
InChIKeyIEOXMWSSWKFODG-JCMHNJIXSA-N
MW371.48 g/mol
LogP5.78
Rot. Bonds5

About (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one

(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one (PubChem CID 126120865) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one.

Molecular Properties

Compound Name(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one
PubChem CID126120865
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one
SMILESCCOc1ccc2ccccc2c1/C=C1\C(=O)N(CC(C)C)c2ccccc21
InChIInChI=1S/C25H25NO2/c1-4-28-24-14-13-18-9-5-6-10-19(18)21(24)15-22-20-11-7-8-12-23(20)26(25(22)27)16-17(2)3/h5-15,17H,4,16H2,1-3H3/b22-15-
InChIKeyIEOXMWSSWKFODG-JCMHNJIXSA-N
XLogP5.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126126060
(3Z)-3-[(3-ethoxy-5-iodo-4-prop-2-ynoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126128596
(3Z)-3-(furan-2-ylmethylidene)-1-(2-methylpropyl)indol-2-one
CID 126120532
(3Z)-3-[[3-bromo-4-(naphthalen-2-ylmethoxy)phenyl]methylidene]-1-(2-methylpropyl)indol-2-one
CID 126125228
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 21377441
(3Z)-3-[(5-ethylthiophen-2-yl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126115944
(3Z)-3-[(3,5-dibromo-4-prop-2-enoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126122608
(3Z)-3-[(2,4-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126141856
(3Z)-3-[(2-chloro-4,5-dimethoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126118417
(5E)-5-[(2-ethoxynaphthalen-1-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1359626
3-[(4-ethoxynaphthalen-1-yl)methylidene]-1-methylindol-2-one
CID 964278
(3Z)-3-[(3,5-dichloro-2-methoxyphenyl)methylidene]-1-(2-methylpropyl)indol-2-one
CID 126121163

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
The IUPAC name of (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one (CID 126120865) is (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one.
What is the SMILES notation for (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
The canonical SMILES for (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one is CCOc1ccc2ccccc2c1/C=C1\C(=O)N(CC(C)C)c2ccccc21.
What is the InChIKey of (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
The InChIKey is IEOXMWSSWKFODG-JCMHNJIXSA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-28-24-14-13-18-9-5-6-10-19(18)21(24)15-22-20-11-7-8-12-23(20)26(25(22)27)16-17(2)3/h5-15,17H,4,16H2,1-3H3/b22-15-.
What are the key properties of (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one?
(3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one has a molecular weight of 371.48 g/mol, XLogP of 5.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(2-ethoxynaphthalen-1-yl)methylidene]-1-(2-methylpropyl)indol-2-one is sourced from PubChem (CID 126120865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).