N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide

C18H21N3O3 — CID 9028674

IUPACN-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
SMILESCC(C)C/C(=N/NC(=O)C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(2)11-16(14-7-4-3-5-8-14)20-21-18(23)17(22)19-12-15-9-6-10-24-15/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-16-
InChIKeyFCCGVXVFABHLHJ-SILNSSARSA-N
MW327.38 g/mol
LogP2.46
Rot. Bonds6

About N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide

N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide (PubChem CID 9028674) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
PubChem CID9028674
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
SMILESCC(C)C/C(=N/NC(=O)C(=O)NCc1ccco1)c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-13(2)11-16(14-7-4-3-5-8-14)20-21-18(23)17(22)19-12-15-9-6-10-24-15/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-16-
InChIKeyFCCGVXVFABHLHJ-SILNSSARSA-N
XLogP2.46
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1-(furan-2-ylmethyl)-3-[(Z)-(3-methyl-1-phenylbutylidene)amino]thiourea
CID 8981711
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N-[(3-methyl-1-phenylbutylidene)amino]-4-phenylbenzamide
CID 4581663
N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575936
N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405111
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-benzoylbenzoate
CID 7470534

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide (CID 9028674) is N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide is CC(C)C/C(=N/NC(=O)C(=O)NCc1ccco1)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
The InChIKey is FCCGVXVFABHLHJ-SILNSSARSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13(2)11-16(14-7-4-3-5-8-14)20-21-18(23)17(22)19-12-15-9-6-10-24-15/h3-10,13H,11-12H2,1-2H3,(H,19,22)(H,21,23)/b20-16-.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide?
N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide has a molecular weight of 327.38 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide is sourced from PubChem (CID 9028674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).