4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

C17H17N3O4 — CID 92958877

IUPAC4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESO=C(/C=C\c1ccco1)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O4/c21-15(18-13-5-2-1-3-6-13)10-11-17(23)20-19-16(22)9-8-14-7-4-12-24-14/h1-9,12H,10-11H2,(H,18,21)(H,19,22)(H,20,23)/b9-8-
InChIKeyMBJMRDSLWAKLJN-HJWRWDBZSA-N
MW327.34 g/mol
LogP1.86
Rot. Bonds6

About 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide

4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (PubChem CID 92958877) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.

Molecular Properties

Compound Name4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
PubChem CID92958877
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
SMILESO=C(/C=C\c1ccco1)NNC(=O)CCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17N3O4/c21-15(18-13-5-2-1-3-6-13)10-11-17(23)20-19-16(22)9-8-14-7-4-12-24-14/h1-9,12H,10-11H2,(H,18,21)(H,19,22)(H,20,23)/b9-8-
InChIKeyMBJMRDSLWAKLJN-HJWRWDBZSA-N
XLogP1.86
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylurea
CID 695806
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
4-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]anilino]-4-oxobutanoic acid
CID 19057264
(E)-3-(furan-2-yl)-N-[(phenylcarbamoylamino)carbamothioyl]prop-2-enamide
CID 6134574
(Z)-3-(furan-2-yl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 2298592
N-ethyl-4-[3-[3-(furan-2-yl)prop-2-enoylamino]propanoylamino]benzamide
CID 55802124
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
(E)-3-(furan-2-yl)-N-naphthalen-1-ylprop-2-enamide
CID 964287
4-[2-[(E)-3-(3-nitrophenyl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 17176089
[2-oxo-2-(4-phenylanilino)ethyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7852106
tert-butyl N-[3-(furan-2-yl)prop-2-enoylamino]carbamate
CID 4876281
tert-butyl N-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]carbamate
CID 2543493

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The IUPAC name of 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide (CID 92958877) is 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide.
What is the SMILES notation for 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The canonical SMILES for 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is O=C(/C=C\c1ccco1)NNC(=O)CCC(=O)Nc1ccccc1.
What is the InChIKey of 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
The InChIKey is MBJMRDSLWAKLJN-HJWRWDBZSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-15(18-13-5-2-1-3-6-13)10-11-17(23)20-19-16(22)9-8-14-7-4-12-24-14/h1-9,12H,10-11H2,(H,18,21)(H,19,22)(H,20,23)/b9-8-.
What are the key properties of 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide?
4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide has a molecular weight of 327.34 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-3-(furan-2-yl)prop-2-enoyl]hydrazinyl]-4-oxo-N-phenylbutanamide is sourced from PubChem (CID 92958877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).