2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide

C23H25NO4 — CID 2697143

IUPAC2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
SMILESCCOc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)N(C)C
InChIInChI=1S/C23H25NO4/c1-4-27-21-14-16(9-12-20(21)28-15-22(25)24(2)3)13-18-11-10-17-7-5-6-8-19(17)23(18)26/h5-9,12-14H,4,10-11,15H2,1-3H3/b18-13+
InChIKeyUWBVJIWGKGWPQC-QGOAFFKASA-N
MW379.46 g/mol
LogP3.76
Rot. Bonds6

About 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide

2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide (PubChem CID 2697143) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
PubChem CID2697143
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
SMILESCCOc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)N(C)C
InChIInChI=1S/C23H25NO4/c1-4-27-21-14-16(9-12-20(21)28-15-22(25)24(2)3)13-18-11-10-17-7-5-6-8-19(17)23(18)26/h5-9,12-14H,4,10-11,15H2,1-3H3/b18-13+
InChIKeyUWBVJIWGKGWPQC-QGOAFFKASA-N
XLogP3.76
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-ethoxy-4-[(Z)-(4-oxochromen-3-ylidene)methyl]phenoxy]-N,N-dimethylacetamide
CID 2697354
2-[2-ethoxy-4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-di(propan-2-yl)acetamide
CID 16555399
2-[(3,4-diethoxyphenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 75946858
(2E)-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 5468152
2-[4-[(Z)-[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 17480139
2-[2-ethoxy-4-[(Z)-[2-(3-methylphenyl)-1,3-dioxoisoquinolin-4-ylidene]methyl]phenoxy]-N,N-dimethylacetamide
CID 2688947
2-[2-ethoxy-4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]-N,N-dimethylacetamide
CID 8832683
(2E)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methoxy-3,4-dihydronaphthalen-1-one
CID 9447281
2-[2-ethoxy-4-[(3-oxo-1-benzothiophen-2-ylidene)methyl]phenoxy]acetic acid
CID 73462839
(2E)-2-[[3-bromo-4-(dimethylamino)phenyl]methylidene]-3,4-dihydronaphthalen-1-one
CID 5351388
2-[4-(2,2-dicyanoethenyl)-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 2688413
2-[4-[(E)-3-(2,6-difluorophenyl)-3-oxoprop-1-enyl]-2-ethoxyphenoxy]-N,N-dimethylacetamide
CID 8853745

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide (CID 2697143) is 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide is CCOc1cc(/C=C2\CCc3ccccc3C2=O)ccc1OCC(=O)N(C)C.
What is the InChIKey of 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is UWBVJIWGKGWPQC-QGOAFFKASA-N. The full InChI is InChI=1S/C23H25NO4/c1-4-27-21-14-16(9-12-20(21)28-15-22(25)24(2)3)13-18-11-10-17-7-5-6-8-19(17)23(18)26/h5-9,12-14H,4,10-11,15H2,1-3H3/b18-13+.
What are the key properties of 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide?
2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 379.46 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethoxy-4-[(E)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 2697143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).