N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide

C10H13N3O3 — CID 21211556

IUPACN-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
SMILESCC(C)=NNC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C10H13N3O3/c1-7(2)12-13-10(15)9(14)11-6-8-4-3-5-16-8/h3-5H,6H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyKLQUQFHOSVYBMJ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.41
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide

N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide (PubChem CID 21211556) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
PubChem CID21211556
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
SMILESCC(C)=NNC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C10H13N3O3/c1-7(2)12-13-10(15)9(14)11-6-8-4-3-5-16-8/h3-5H,6H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyKLQUQFHOSVYBMJ-UHFFFAOYSA-N
XLogP0.41
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.41
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

N-(furan-2-ylmethyl)-N'-[(Z)-(3-methyl-1-phenylbutylidene)amino]oxamide
CID 9028674
N'-[(Z)-1-(2,4-difluorophenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352980
N'-[(Z)-[4-(furan-2-ylmethylamino)-4-oxobutan-2-ylidene]amino]-N-(2-methylpropyl)oxamide
CID 6376560
N'-[(E)-1-(5-fluoro-2-hydroxyphenyl)ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 135575936
N-(furan-2-ylmethyl)acetamide
CID 2394850
N'-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352879
N'-[(Z)-1-[3-(difluoromethoxy)phenyl]ethylideneamino]-N-(furan-2-ylmethyl)oxamide
CID 9352954
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N-(furan-2-ylmethyl)-N'-[(5-methylfuran-2-yl)methylideneamino]oxamide
CID 5237010
N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
N-(furan-2-ylmethyl)-N'-[(1-methylpiperidin-1-ium-4-ylidene)amino]oxamide
CID 7159946
(3Z)-3-(carbamoylhydrazinylidene)-N-(furan-2-ylmethyl)butanamide
CID 6371240

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide (CID 21211556) is N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide is CC(C)=NNC(=O)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide?
The InChIKey is KLQUQFHOSVYBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7(2)12-13-10(15)9(14)11-6-8-4-3-5-16-8/h3-5H,6H2,1-2H3,(H,11,14)(H,13,15).
What are the key properties of N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide?
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide has a molecular weight of 223.23 g/mol, XLogP of 0.41, 3 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'-(propan-2-ylideneamino)oxamide is sourced from PubChem (CID 21211556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).