3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide

C21H19N3O3 — CID 3375697

IUPAC3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESCC(=NNC(=O)CNC(=O)C=Cc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O3/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)23-24-21(26)14-22-20(25)11-10-19-7-4-12-27-19/h2-13H,14H2,1H3,(H,22,25)(H,24,26)
InChIKeyLNNSDSJMTGPSBP-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.10
Rot. Bonds6

About 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide (PubChem CID 3375697) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
PubChem CID3375697
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESCC(=NNC(=O)CNC(=O)C=Cc1ccco1)c1ccc2ccccc2c1
InChIInChI=1S/C21H19N3O3/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)23-24-21(26)14-22-20(25)11-10-19-7-4-12-27-19/h2-13H,14H2,1H3,(H,22,25)(H,24,26)
InChIKeyLNNSDSJMTGPSBP-UHFFFAOYSA-N
XLogP3.10
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4E)-4-[[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 46496063
3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 5206140
4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 6063456
N,N'-bis[(Z)-1-naphthalen-2-ylethylideneamino]nonanediamide
CID 92652613
N,N'-bis(1-naphthalen-2-ylethylideneamino)octanediamide
CID 4172674
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-N-[2-[2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 24816776
(E)-3-(2-methoxyphenyl)-N-[2-[2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 24792853
N-[2-[2-[(E)-4-(furan-2-yl)but-3-en-2-ylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 129360095
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide (CID 3375697) is 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide is CC(=NNC(=O)CNC(=O)C=Cc1ccco1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
The InChIKey is LNNSDSJMTGPSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)23-24-21(26)14-22-20(25)11-10-19-7-4-12-27-19/h2-13H,14H2,1H3,(H,22,25)(H,24,26).
What are the key properties of 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide has a molecular weight of 361.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 3375697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).