N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide

C22H26N4O4 — CID 5334919

IUPACN,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OC(C)C
InChIInChI=1S/C22H26N4O4/c1-15(2)29-19-11-7-5-9-17(19)13-23-25-21(27)22(28)26-24-14-18-10-6-8-12-20(18)30-16(3)4/h5-16H,1-4H3,(H,25,27)(H,26,28)/b23-13+,24-14+
InChIKeyGPZUMNSOCUXHAQ-RNIAWFEPSA-N
MW410.47 g/mol
LogP2.86
Rot. Bonds8

About N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide

N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide (PubChem CID 5334919) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
PubChem CID5334919
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide
SMILESCC(C)Oc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OC(C)C
InChIInChI=1S/C22H26N4O4/c1-15(2)29-19-11-7-5-9-17(19)13-23-25-21(27)22(28)26-24-14-18-10-6-8-12-20(18)30-16(3)4/h5-16H,1-4H3,(H,25,27)(H,26,28)/b23-13+,24-14+
InChIKeyGPZUMNSOCUXHAQ-RNIAWFEPSA-N
XLogP2.86
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

1,3-bis[(2-propan-2-yloxyphenyl)methylideneamino]thiourea
CID 2566373
4-fluoro-N-[(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 841414
4-fluoro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 5412153
4-chloro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 124508573
N-[(Z)-(2-methoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215609
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715
3-methyl-4-oxo-N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]phthalazine-1-carboxamide
CID 42993119
3-nitro-N-[(Z)-(2-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 6305635
N-[(E)-(2-propan-2-yloxyphenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 42992096
N-(4-methoxyphenyl)-2-propan-2-yl-N'-[(2-propan-2-yloxyphenyl)methylideneamino]propanediamide
CID 4043475
N-cyclopropyl-N'-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]oxamide
CID 9352177
N-(2-methoxyphenyl)-N'-[(2-methoxyphenyl)methylideneamino]oxamide
CID 2250526

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide (CID 5334919) is N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide is CC(C)Oc1ccccc1/C=N/NC(=O)C(=O)N/N=C/c1ccccc1OC(C)C.
What is the InChIKey of N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide?
The InChIKey is GPZUMNSOCUXHAQ-RNIAWFEPSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-15(2)29-19-11-7-5-9-17(19)13-23-25-21(27)22(28)26-24-14-18-10-6-8-12-20(18)30-16(3)4/h5-16H,1-4H3,(H,25,27)(H,26,28)/b23-13+,24-14+.
What are the key properties of N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide has a molecular weight of 410.47 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2-propan-2-yloxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 5334919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).