N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide

C15H16N2O2 — CID 6339329

IUPACN-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
SMILESC/C(=N/NC(=O)CCc1ccccc1)c1ccco1
InChIInChI=1S/C15H16N2O2/c1-12(14-8-5-11-19-14)16-17-15(18)10-9-13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,17,18)/b16-12-
InChIKeyFXICALJXHGCLGA-VBKFSLOCSA-N
MW256.31 g/mol
LogP2.75
Rot. Bonds5

About N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide

N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide (PubChem CID 6339329) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
PubChem CID6339329
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
SMILESC/C(=N/NC(=O)CCc1ccccc1)c1ccco1
InChIInChI=1S/C15H16N2O2/c1-12(14-8-5-11-19-14)16-17-15(18)10-9-13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,17,18)/b16-12-
InChIKeyFXICALJXHGCLGA-VBKFSLOCSA-N
XLogP2.75
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
CID 3424450
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
3-carbazol-9-yl-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742193
N-[(E)-1-(furan-2-yl)ethylideneamino]benzamide
CID 5396908
2-(benzenesulfonamido)-N-[(Z)-1-(furan-2-yl)ethylideneamino]acetamide
CID 9236586
2-cyano-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5334027
2-cyano-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 2848867
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
2-(4-benzylpiperazin-1-yl)-N-[1-(furan-2-yl)ethylideneamino]acetamide
CID 702764
[(Z)-1-(furan-2-yl)ethylideneamino]urea
CID 5354823

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide?
The IUPAC name of N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide (CID 6339329) is N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide.
What is the SMILES notation for N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide?
The canonical SMILES for N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide is C/C(=N/NC(=O)CCc1ccccc1)c1ccco1.
What is the InChIKey of N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide?
The InChIKey is FXICALJXHGCLGA-VBKFSLOCSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-12(14-8-5-11-19-14)16-17-15(18)10-9-13-6-3-2-4-7-13/h2-8,11H,9-10H2,1H3,(H,17,18)/b16-12-.
What are the key properties of N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide?
N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide has a molecular weight of 256.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide is sourced from PubChem (CID 6339329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).