N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide

C24H23N3O3 — CID 6176038

IUPACN-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-7-6-8-18(2)22(17)26-23(28)24(29)27-25-15-19-11-13-21(14-12-19)30-16-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyRBIOERQTXQASFR-MYYYXRDXSA-N
MW401.47 g/mol
LogP3.97
Rot. Bonds6

About N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide

N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide (PubChem CID 6176038) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
PubChem CID6176038
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c1-17-7-6-8-18(2)22(17)26-23(28)24(29)27-25-15-19-11-13-21(14-12-19)30-16-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-
InChIKeyRBIOERQTXQASFR-MYYYXRDXSA-N
XLogP3.97
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.97
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-(4-ethylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3862743
N-(2,6-dimethylphenyl)-N'-[[3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 5082451
1-(2-methylphenyl)-3-[(4-phenylmethoxyphenyl)methylideneamino]urea
CID 4309839
N-(4-butylphenyl)-N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 3329595
N'-[[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 4107522
2-methyl-N-[(4-phenylmethoxyphenyl)methylideneamino]benzamide
CID 916420
N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]-N-propan-2-yloxamide
CID 7658895
ethyl 4-[[2-oxo-2-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]acetyl]amino]benzoate
CID 94846532
N'-[(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 2692945
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899674
[4-[(E)-[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 19660324

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide (CID 6176038) is N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is Cc1cccc(C)c1NC(=O)C(=O)N/N=C\c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
The InChIKey is RBIOERQTXQASFR-MYYYXRDXSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-7-6-8-18(2)22(17)26-23(28)24(29)27-25-15-19-11-13-21(14-12-19)30-16-20-9-4-3-5-10-20/h3-15H,16H2,1-2H3,(H,26,28)(H,27,29)/b25-15-.
What are the key properties of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide?
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide has a molecular weight of 401.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6176038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).