ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate

C18H20N2O3 — CID 3402197

IUPACethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)11-13(2)19-20-17(21)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyFSHNTYIEWUNMRN-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.83
Rot. Bonds6

About ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate

ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate (PubChem CID 3402197) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate.

Molecular Properties

Compound Nameethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
PubChem CID3402197
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate
SMILESCCOC(=O)CC(C)=NNC(=O)Cc1cccc2ccccc12
InChIInChI=1S/C18H20N2O3/c1-3-23-18(22)11-13(2)19-20-17(21)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12H2,1-2H3,(H,20,21)
InChIKeyFSHNTYIEWUNMRN-UHFFFAOYSA-N
XLogP2.83
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(hexan-2-ylideneamino)-2-naphthalen-1-ylacetamide
CID 4066378
ethyl (3E)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 5368572
ethyl (3Z)-3-[[4-(benzylamino)-4-oxobutanoyl]hydrazinylidene]butanoate
CID 6273765
[(Z)-1-naphthalen-1-ylpropan-2-ylideneamino]urea
CID 5385660
ethyl (3Z)-3-[(4-anilino-4-oxobutanoyl)hydrazinylidene]butanoate
CID 6151884
N-[1-(4-methylphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 4153333
ethyl 3-[(2,2-diphenylacetyl)hydrazinylidene]butanoate
CID 5235371
N-[(E)-1-(4-hydroxyphenyl)propylideneamino]-2-naphthalen-1-ylacetamide
CID 135588935
ethyl (3Z)-3-[[(1S,2R)-2-phenylcyclopropanecarbonyl]hydrazinylidene]butanoate
CID 40524833
ethyl 3-[4-(1,4-dioxo-3H-phthalazin-2-yl)butanoylhydrazinylidene]butanoate
CID 134811771
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
N-[1-(1-adamantyl)ethylideneamino]-2-naphthalen-1-ylacetamide
CID 4667670

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate?
The IUPAC name of ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate (CID 3402197) is ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate.
What is the SMILES notation for ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate?
The canonical SMILES for ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate is CCOC(=O)CC(C)=NNC(=O)Cc1cccc2ccccc12.
What is the InChIKey of ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate?
The InChIKey is FSHNTYIEWUNMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-3-23-18(22)11-13(2)19-20-17(21)12-15-9-6-8-14-7-4-5-10-16(14)15/h4-10H,3,11-12H2,1-2H3,(H,20,21).
What are the key properties of ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate?
ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate has a molecular weight of 312.37 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-naphthalen-1-ylacetyl)hydrazinylidene]butanoate is sourced from PubChem (CID 3402197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).