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

C20H17N3O3 — CID 5206140

IUPAC3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC(=O)NN=Cc1cccc2ccccc12
InChIInChI=1S/C20H17N3O3/c24-19(11-10-17-8-4-12-26-17)21-14-20(25)23-22-13-16-7-3-6-15-5-1-2-9-18(15)16/h1-13H,14H2,(H,21,24)(H,23,25)
InChIKeyKPSQBBBJTUDUGS-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.71
Rot. Bonds6

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

3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide (PubChem CID 5206140) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
PubChem CID5206140
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCC(=O)NN=Cc1cccc2ccccc12
InChIInChI=1S/C20H17N3O3/c24-19(11-10-17-8-4-12-26-17)21-14-20(25)23-22-13-16-7-3-6-15-5-1-2-9-18(15)16/h1-13H,14H2,(H,21,24)(H,23,25)
InChIKeyKPSQBBBJTUDUGS-UHFFFAOYSA-N
XLogP2.71
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.71
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
N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 5063560
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)-N-(quinolin-4-ylmethylideneamino)prop-2-enamide
CID 6734706
3-(furan-2-yl)-N-[2-[2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 3375697
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-[2-(2-bromoanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 4820792
(E)-N-[2-(tert-butylamino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 40658895
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
N-[2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]tetradecanamide
CID 45054319
(E)-N-[2-(2-ethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 8699004
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 25493927

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide (CID 5206140) is 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide is O=C(C=Cc1ccco1)NCC(=O)NN=Cc1cccc2ccccc12.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
The InChIKey is KPSQBBBJTUDUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(11-10-17-8-4-12-26-17)21-14-20(25)23-22-13-16-7-3-6-15-5-1-2-9-18(15)16/h1-13H,14H2,(H,21,24)(H,23,25).
What are the key properties of 3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide has a molecular weight of 347.37 g/mol, XLogP of 2.71, 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-(naphthalen-1-ylmethylidene)hydrazinyl]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 5206140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).