N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide

C15H22N4O4 — CID 6376560

IUPACN'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
SMILESC/C(CC(=O)NCc1ccco1)=N/NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C15H22N4O4/c1-10(2)8-17-14(21)15(22)19-18-11(3)7-13(20)16-9-12-5-4-6-23-12/h4-6,10H,7-9H2,1-3H3,(H,16,20)(H,17,21)(H,19,22)/b18-11-
InChIKeyAFCXLNKGQWYXFA-WQRHYEAKSA-N
MW322.37 g/mol
LogP0.55
Rot. Bonds7

About N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide

N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide (PubChem CID 6376560) has the molecular formula C15H22N4O4 and a molecular weight of 322.37 g/mol. Its IUPAC name is N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
PubChem CID6376560
Molecular FormulaC15H22N4O4
Molecular Weight322.37 g/mol
Exact Mass322.16
IUPAC NameN'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
SMILESC/C(CC(=O)NCc1ccco1)=N/NC(=O)C(=O)NCC(C)C
InChIInChI=1S/C15H22N4O4/c1-10(2)8-17-14(21)15(22)19-18-11(3)7-13(20)16-9-12-5-4-6-23-12/h4-6,10H,7-9H2,1-3H3,(H,16,20)(H,17,21)(H,19,22)/b18-11-
InChIKeyAFCXLNKGQWYXFA-WQRHYEAKSA-N
XLogP0.55
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 3101332
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6378047
N-[(E)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]cyclohexanecarboxamide
CID 6270943
N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9028674
N-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6379341
(3Z)-3-[[2-(3,4-dimethoxyphenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 6283145
(3Z)-3-[[2-(2,4-dinitrophenyl)acetyl]hydrazinylidene]-N-(furan-2-ylmethyl)butanamide
CID 98156361
3-amino-N-(furan-2-ylmethyl)butanamide
CID 60835501
N-(furan-2-ylmethyl)acetamide
CID 2394850

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide (CID 6376560) is N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide is C/C(CC(=O)NCc1ccco1)=N/NC(=O)C(=O)NCC(C)C.
What is the InChIKey of N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide?
The InChIKey is AFCXLNKGQWYXFA-WQRHYEAKSA-N. The full InChI is InChI=1S/C15H22N4O4/c1-10(2)8-17-14(21)15(22)19-18-11(3)7-13(20)16-9-12-5-4-6-23-12/h4-6,10H,7-9H2,1-3H3,(H,16,20)(H,17,21)(H,19,22)/b18-11-.
What are the key properties of N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide?
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide has a molecular weight of 322.37 g/mol, XLogP of 0.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 6376560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).