[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate

C23H21NO3 — CID 1193097

IUPAC[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
SMILESCc1cccc(NC(=O)COC(=O)C=Cc2cccc3ccccc23)c1C
InChIInChI=1S/C23H21NO3/c1-16-7-5-12-21(17(16)2)24-22(25)15-27-23(26)14-13-19-10-6-9-18-8-3-4-11-20(18)19/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyYDJKGAHHLRJLGG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.65
Rot. Bonds5

About [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate

[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate (PubChem CID 1193097) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate.

Molecular Properties

Compound Name[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
PubChem CID1193097
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
SMILESCc1cccc(NC(=O)COC(=O)C=Cc2cccc3ccccc23)c1C
InChIInChI=1S/C23H21NO3/c1-16-7-5-12-21(17(16)2)24-22(25)15-27-23(26)14-13-19-10-6-9-18-8-3-4-11-20(18)19/h3-14H,15H2,1-2H3,(H,24,25)
InChIKeyYDJKGAHHLRJLGG-UHFFFAOYSA-N
XLogP4.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloro-2-methylanilino)-2-oxoethyl] (E)-3-naphthalen-1-ylprop-2-enoate
CID 1193113
[2-(2-methoxyanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 5057672
[2-(4-methylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate
CID 733131
(2-anilino-2-oxoethyl) (E)-3-naphthalen-1-ylprop-2-enoate
CID 733137
[2-(2,3-dimethylanilino)-2-oxoethyl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7907527
N-[(2,3-dimethylphenyl)carbamothioyl]-3-naphthalen-1-ylprop-2-enamide
CID 3576339
[2-(2-methylanilino)-2-oxoethyl] 3-(2-methoxyphenyl)prop-2-enoate
CID 3300739
[2-(2,3-dimethylanilino)-2-oxoethyl] (E)-3-(4-methylsulfanylphenyl)prop-2-enoate
CID 7953278
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
[2-oxo-2-(2-phenylanilino)ethyl] (E)-3-(2-methylphenyl)prop-2-enoate
CID 7849552
[2-(naphthalen-1-ylamino)-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate
CID 7883133

Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The IUPAC name of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate (CID 1193097) is [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate.
What is the SMILES notation for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The canonical SMILES for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate is Cc1cccc(NC(=O)COC(=O)C=Cc2cccc3ccccc23)c1C.
What is the InChIKey of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
The InChIKey is YDJKGAHHLRJLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-16-7-5-12-21(17(16)2)24-22(25)15-27-23(26)14-13-19-10-6-9-18-8-3-4-11-20(18)19/h3-14H,15H2,1-2H3,(H,24,25).
What are the key properties of [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate?
[2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate has a molecular weight of 359.43 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dimethylanilino)-2-oxoethyl] 3-naphthalen-1-ylprop-2-enoate is sourced from PubChem (CID 1193097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).