N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide

C13H19N3O3 — CID 6369739

IUPACN-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESC/C(CC(=O)NC(C)(C)C)=N/NC(=O)c1ccco1
InChIInChI=1S/C13H19N3O3/c1-9(8-11(17)14-13(2,3)4)15-16-12(18)10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H,14,17)(H,16,18)/b15-9-
InChIKeyATSNEEHTRYMNGX-DHDCSXOGSA-N
MW265.31 g/mol
LogP1.69
Rot. Bonds4

About N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide

N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide (PubChem CID 6369739) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
PubChem CID6369739
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
SMILESC/C(CC(=O)NC(C)(C)C)=N/NC(=O)c1ccco1
InChIInChI=1S/C13H19N3O3/c1-9(8-11(17)14-13(2,3)4)15-16-12(18)10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H,14,17)(H,16,18)/b15-9-
InChIKeyATSNEEHTRYMNGX-DHDCSXOGSA-N
XLogP1.69
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.69
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-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
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-[(E)-1-(furan-2-yl)ethylideneamino]furan-2-carboxamide
CID 5339845
N-[[4-(5-chloro-2,4-dimethoxyanilino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 4216344
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N-[(E)-1-(1-adamantyl)propan-2-ylideneamino]furan-2-carboxamide
CID 18274046
N-[1-(4-methylphenyl)ethylideneamino]furan-2-carboxamide
CID 5087593
N-[(E)-1-(4-bromophenyl)ethylideneamino]furan-2-carboxamide
CID 5340021
N-[1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 761397
N-[2-[[amino-(tert-butylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111042782
N-(2-hydroxy-2-methylpropanoyl)furan-2-carboxamide
CID 174420359

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The IUPAC name of N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide (CID 6369739) is N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide.
What is the SMILES notation for N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The canonical SMILES for N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide is C/C(CC(=O)NC(C)(C)C)=N/NC(=O)c1ccco1.
What is the InChIKey of N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
The InChIKey is ATSNEEHTRYMNGX-DHDCSXOGSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(8-11(17)14-13(2,3)4)15-16-12(18)10-6-5-7-19-10/h5-7H,8H2,1-4H3,(H,14,17)(H,16,18)/b15-9-.
What are the key properties of N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide?
N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-(tert-butylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide is sourced from PubChem (CID 6369739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).