N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide

C20H20N2O3 — CID 73064996

IUPACN-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide
SMILESCCOc1ccccc1C=C1C(=O)Nc2cc(CNC(C)=O)ccc21
InChIInChI=1S/C20H20N2O3/c1-3-25-19-7-5-4-6-15(19)11-17-16-9-8-14(12-21-13(2)23)10-18(16)22-20(17)24/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDOFJWKVCSZWKTM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.21
Rot. Bonds5

About N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide

N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide (PubChem CID 73064996) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide
PubChem CID73064996
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide
SMILESCCOc1ccccc1C=C1C(=O)Nc2cc(CNC(C)=O)ccc21
InChIInChI=1S/C20H20N2O3/c1-3-25-19-7-5-4-6-15(19)11-17-16-9-8-14(12-21-13(2)23)10-18(16)22-20(17)24/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDOFJWKVCSZWKTM-UHFFFAOYSA-N
XLogP3.21
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 4058783
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-phenyl-1H-indol-2-one
CID 11602565
3-[(2-ethoxyphenyl)methylidene]-6-prop-2-enoxy-1H-indol-2-one
CID 72985927
5-chloro-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 3967749
(3E)-3-[(2-ethoxyphenyl)methylidene]-6-(3-nitrophenyl)-1H-indol-2-one
CID 58662750
(3Z)-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-5,6-dimethoxy-1H-indol-2-one
CID 51063603
(3E)-6-(1,3-benzoxazol-2-yl)-3-[(2-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 11639542
2-[4-ethoxy-3-[(6-methoxycarbonyl-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]acetic acid
CID 73002091
(3E)-3-[(2-chlorophenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11514939
(3E)-3-[(2,3-dimethoxyphenyl)methylidene]-6-ethoxy-1H-indol-2-one
CID 11674249
(3E)-6-ethoxy-3-[(2-propylphenyl)methylidene]-1H-indol-2-one
CID 58662775
(3E)-5-bromo-3-[(3-ethoxy-2-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 1020382

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide?
The IUPAC name of N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide (CID 73064996) is N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide is CCOc1ccccc1C=C1C(=O)Nc2cc(CNC(C)=O)ccc21.
What is the InChIKey of N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide?
The InChIKey is DOFJWKVCSZWKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-25-19-7-5-4-6-15(19)11-17-16-9-8-14(12-21-13(2)23)10-18(16)22-20(17)24/h4-11H,3,12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide?
N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-ethoxyphenyl)methylidene]-2-oxo-1H-indol-6-yl]methyl]acetamide is sourced from PubChem (CID 73064996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).