N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide

C14H15N3O4 — CID 3101336

IUPACN-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESCC(CC(=O)NCc1ccco1)=NNC(=O)c1ccco1
InChIInChI=1S/C14H15N3O4/c1-10(16-17-14(19)12-5-3-7-21-12)8-13(18)15-9-11-4-2-6-20-11/h2-7H,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyFXPSBDWRHAMUIN-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.68
Rot. Bonds6

About N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide

N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide (PubChem CID 3101336) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
PubChem CID3101336
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC NameN-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESCC(CC(=O)NCc1ccco1)=NNC(=O)c1ccco1
InChIInChI=1S/C14H15N3O4/c1-10(16-17-14(19)12-5-3-7-21-12)8-13(18)15-9-11-4-2-6-20-11/h2-7H,8-9H2,1H3,(H,15,18)(H,17,19)
InChIKeyFXPSBDWRHAMUIN-UHFFFAOYSA-N
XLogP1.68
TPSA96.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341
N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 6369739
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6378047
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 6270943
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
N-(furan-2-ylmethylcarbamothioyl)furan-2-carboxamide
CID 702076
N-[(E)-[4-(2-chloroanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 5344897
N-[[4-(cycloheptylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4307620
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
N-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide (CID 3101336) is N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide is CC(CC(=O)NCc1ccco1)=NNC(=O)c1ccco1.
What is the InChIKey of N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The InChIKey is FXPSBDWRHAMUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-10(16-17-14(19)12-5-3-7-21-12)8-13(18)15-9-11-4-2-6-20-11/h2-7H,8-9H2,1H3,(H,15,18)(H,17,19).
What are the key properties of N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide has a molecular weight of 289.29 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 3101336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).