N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide

C21H21NO2 — CID 17391600

IUPACN-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc1
InChIInChI=1S/C21H21NO2/c1-13-10-14(2)19-9-6-17(21(24)20(19)11-13)12-16-4-7-18(8-5-16)22-15(3)23/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,22,23)/b17-12+
InChIKeyKOVNCEPZVSXBAN-SFQUDFHCSA-N
MW319.40 g/mol
LogP4.47
Rot. Bonds2

About N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide

N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide (PubChem CID 17391600) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
PubChem CID17391600
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc1
InChIInChI=1S/C21H21NO2/c1-13-10-14(2)19-9-6-17(21(24)20(19)11-13)12-16-4-7-18(8-5-16)22-15(3)23/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,22,23)/b17-12+
InChIKeyKOVNCEPZVSXBAN-SFQUDFHCSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-fluorophenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
CID 4851352
(2E)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-5,7-dimethyl-3,4-dihydronaphthalen-1-one
CID 2697291
(2Z)-5,7-dimethyl-2-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 2697290
N-[4-[(E)-[(5Z)-5-[(4-acetamidophenyl)methylidene]-1-ethyl-4-oxopiperidin-1-ium-3-ylidene]methyl]phenyl]acetamide
CID 2406838
(2Z)-5,7-dimethyl-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 2697286
N-[4-[(E)-(4-oxochromen-3-ylidene)methyl]phenyl]acetamide
CID 17391461
N-[4-[(E)-[(5Z)-5-[(4-acetamidophenyl)methylidene]-1-methyl-4-oxopiperidin-1-ium-3-ylidene]methyl]phenyl]acetamide
CID 2415957
N-[4-[(Z)-[(3Z)-3-[(4-acetamidophenyl)methylidene]-5-ethyl-2-oxocyclohexylidene]methyl]phenyl]acetamide
CID 92896797
(7E)-7-[(4-methylphenyl)methylidene]-8-oxo-5,6-dihydronaphthalene-2-carboxylic acid
CID 163214099
N-[4-[(E)-(8-fluoro-4-oxothiochromen-3-ylidene)methyl]phenyl]acetamide
CID 167810369
2-[(2,4-dipropoxyphenyl)methylidene]-5,7-dimethyl-3,4-dihydronaphthalen-1-one
CID 3404224
N-(4-methylphenyl)acetamide
CID 7684

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide (CID 17391600) is N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide is CC(=O)Nc1ccc(/C=C2\CCc3c(C)cc(C)cc3C2=O)cc1.
What is the InChIKey of N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
The InChIKey is KOVNCEPZVSXBAN-SFQUDFHCSA-N. The full InChI is InChI=1S/C21H21NO2/c1-13-10-14(2)19-9-6-17(21(24)20(19)11-13)12-16-4-7-18(8-5-16)22-15(3)23/h4-5,7-8,10-12H,6,9H2,1-3H3,(H,22,23)/b17-12+.
What are the key properties of N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide?
N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide has a molecular weight of 319.40 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-(5,7-dimethyl-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenyl]acetamide is sourced from PubChem (CID 17391600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).