N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide

C15H15N3O3 — CID 5050172

IUPACN-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide
SMILESCc1cccc(NC(=O)C(=O)NN=Cc2ccco2)c1C
InChIInChI=1S/C15H15N3O3/c1-10-5-3-7-13(11(10)2)17-14(19)15(20)18-16-9-12-6-4-8-21-12/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyDUXDNKXQZHHGPN-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.99
Rot. Bonds3

About N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide

N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide (PubChem CID 5050172) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide
PubChem CID5050172
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide
SMILESCc1cccc(NC(=O)C(=O)NN=Cc2ccco2)c1C
InChIInChI=1S/C15H15N3O3/c1-10-5-3-7-13(11(10)2)17-14(19)15(20)18-16-9-12-6-4-8-21-12/h3-9H,1-2H3,(H,17,19)(H,18,20)
InChIKeyDUXDNKXQZHHGPN-UHFFFAOYSA-N
XLogP1.99
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.99
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-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)butanediamide
CID 4164018
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4620336
methyl 4-[[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 3877148
[(E)-furan-2-ylmethylideneamino]carbamic acid
CID 23219991
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988908
N-[(Z)-furan-2-ylmethylideneamino]-2-methylbenzamide
CID 5411378
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899667
N'-[(Z)-furan-2-ylmethylideneamino]-N-[2-(morpholine-4-carbonyl)phenyl]oxamide
CID 6027752
(E)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(furan-2-yl)prop-2-enamide
CID 25493927
2-[4-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989747
N'-[(Z)-[2-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 126165878
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 8931693

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide (CID 5050172) is N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide is Cc1cccc(NC(=O)C(=O)NN=Cc2ccco2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide?
The InChIKey is DUXDNKXQZHHGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-10-5-3-7-13(11(10)2)17-14(19)15(20)18-16-9-12-6-4-8-21-12/h3-9H,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide?
N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide has a molecular weight of 285.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-(furan-2-ylmethylideneamino)oxamide is sourced from PubChem (CID 5050172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).