N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide

C17H19N3O3 — CID 3424450

IUPACN-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccco1
InChIInChI=1S/C17H19N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)10-9-16(21)18-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyJYGXPHKHBFYLTO-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.22
Rot. Bonds7

About N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide

N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide (PubChem CID 3424450) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide.

Molecular Properties

Compound NameN-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
PubChem CID3424450
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide
SMILESCC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccco1
InChIInChI=1S/C17H19N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)10-9-16(21)18-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)(H,20,22)
InChIKeyJYGXPHKHBFYLTO-UHFFFAOYSA-N
XLogP2.22
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-1-(furan-2-yl)ethylideneamino]-3-phenylpropanamide
CID 6339329
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-phenylacetamide
CID 5335640
3-carbazol-9-yl-N-[1-(furan-2-yl)ethylideneamino]propanamide
CID 742193
N-benzyl-N'-[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3144325
N-[(E)-1-(furan-2-yl)ethylideneamino]undecanamide
CID 6260551
N-[1-(furan-2-yl)ethylideneamino]undecanamide
CID 5060301
N'-[1-(3-aminophenyl)ethylideneamino]-N-benzylbutanediamide
CID 3960617
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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide?
The IUPAC name of N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide (CID 3424450) is N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide.
What is the SMILES notation for N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide?
The canonical SMILES for N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide is CC(=NNC(=O)CCC(=O)NCc1ccccc1)c1ccco1.
What is the InChIKey of N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide?
The InChIKey is JYGXPHKHBFYLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-13(15-8-5-11-23-15)19-20-17(22)10-9-16(21)18-12-14-6-3-2-4-7-14/h2-8,11H,9-10,12H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide?
N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide has a molecular weight of 313.36 g/mol, XLogP of 2.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[1-(furan-2-yl)ethylideneamino]butanediamide is sourced from PubChem (CID 3424450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).