N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide

C18H20N4O4 — CID 3101332

IUPACN'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
SMILESCC(CC(=O)NCc1ccco1)=NNC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H20N4O4/c1-12-5-3-6-14(9-12)20-17(24)18(25)22-21-13(2)10-16(23)19-11-15-7-4-8-26-15/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)
InChIKeyLPNOMTDDVKXOSA-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.73
Rot. Bonds6

About N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide

N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide (PubChem CID 3101332) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
PubChem CID3101332
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
SMILESCC(CC(=O)NCc1ccco1)=NNC(=O)C(=O)Nc1cccc(C)c1
InChIInChI=1S/C18H20N4O4/c1-12-5-3-6-14(9-12)20-17(24)18(25)22-21-13(2)10-16(23)19-11-15-7-4-8-26-15/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25)
InChIKeyLPNOMTDDVKXOSA-UHFFFAOYSA-N
XLogP1.73
TPSA112.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.73
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'}

Analyze N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240
N'-[[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 567431
N-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]furan-2-carboxamide
CID 3101336
N'-[(E)-[4-(3,4-dichloroanilino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide
CID 51064207
N-(2-hydroxyethyl)-N'-[[4-(3-methylanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 4672582
N-(3-methylphenyl)-N'-[[4-oxo-4-(pyridin-2-ylamino)butan-2-ylidene]amino]oxamide
CID 3101293
N'-(3-acetylphenyl)-N-(furan-2-ylmethyl)propanediamide
CID 108945142
2-N-(furan-2-ylmethyl)-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109134861
N'-(3-bromophenyl)-N-(furan-2-ylmethyl)oxamide
CID 47224195
(3Z)-3-(formylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6378047
N-(furan-2-ylmethyl)-2-(3-methylphenyl)acetamide
CID 6466784

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
The IUPAC name of N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide (CID 3101332) is N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide.
What is the SMILES notation for N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
The canonical SMILES for N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide is CC(CC(=O)NCc1ccco1)=NNC(=O)C(=O)Nc1cccc(C)c1.
What is the InChIKey of N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
The InChIKey is LPNOMTDDVKXOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-12-5-3-6-14(9-12)20-17(24)18(25)22-21-13(2)10-16(23)19-11-15-7-4-8-26-15/h3-9H,10-11H2,1-2H3,(H,19,23)(H,20,24)(H,22,25).
What are the key properties of N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide?
N'-[[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(3-methylphenyl)oxamide has a molecular weight of 356.38 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 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]-N-(3-methylphenyl)oxamide is sourced from PubChem (CID 3101332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).