(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

C17H17N3O3 — CID 6371505

IUPAC(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESC/C(=N/NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)12-18-16(21)10-9-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,18,21)(H,20,22)/b10-9+,19-13-
InChIKeyPCXQDNVPSCHMTL-BZTAXWJHSA-N
MW311.34 g/mol
LogP1.95
Rot. Bonds6

About (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide

(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (PubChem CID 6371505) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
PubChem CID6371505
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
SMILESC/C(=N/NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccco1
InChIInChI=1S/C17H17N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)12-18-16(21)10-9-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,18,21)(H,20,22)/b10-9+,19-13-
InChIKeyPCXQDNVPSCHMTL-BZTAXWJHSA-N
XLogP1.95
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.95
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

2-(4-benzyl-1-piperazinyl)-N'-[(E)-2-furylmethylidene]acetohydrazide
CID 6879025
(E)-N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide
CID 5333643
2-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9611294
N-({N'-[(1E)-1-(4-Methoxyphenyl)ethylidene]hydrazinecarbonyl}methyl)furan-2-carboxamide
CID 9621408
N-{2-[2-(2-furylmethylene)hydrazino]-1-methyl-2-oxoethyl}benzamide
CID 9642248
3-Fluoro-N-({N'-[(1E)-1-(furan-2-YL)ethylidene]hydrazinecarbonyl}methyl)benzamide
CID 9677979
N-(1-{[2-(2-furylmethylene)hydrazino]carbonyl}-3-methylbutyl)benzamide
CID 9602528
(2Z)-3-(2-furyl)-N-(2-{(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazino}-2-oxoethyl)acrylamide
CID 5808227
Hippuric (furfurylidene)hydrazide
CID 9555014
2-(cinnamoylamino)-N-ethyl-3-(2-furyl)acrylamide
CID 2296037
N-(furan-2-ylmethyl)-2-(6-oxo-3-(p-tolyl)pyridazin-1(6H)-yl)acetamide
CID 5068264
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide (CID 6371505) is (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is C/C(=N/NC(=O)CNC(=O)/C=C/c1ccccc1)c1ccco1.
What is the InChIKey of (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
The InChIKey is PCXQDNVPSCHMTL-BZTAXWJHSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)12-18-16(21)10-9-14-6-3-2-4-7-14/h2-11H,12H2,1H3,(H,18,21)(H,20,22)/b10-9+,19-13-.
What are the key properties of (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide?
(E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide has a molecular weight of 311.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[(2Z)-2-[1-(furan-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 6371505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).