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

C20H23N3O3 — CID 8899674

IUPACN-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C\c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-13(2)26-17-10-8-16(9-11-17)12-21-23-20(25)19(24)22-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H,22,24)(H,23,25)/b21-12-
InChIKeyIFDRZFQNTANYGN-MTJSOVHGSA-N
MW353.42 g/mol
LogP3.18
Rot. Bonds5

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

N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide (PubChem CID 8899674) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
PubChem CID8899674
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C\c1ccc(OC(C)C)cc1
InChIInChI=1S/C20H23N3O3/c1-13(2)26-17-10-8-16(9-11-17)12-21-23-20(25)19(24)22-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H,22,24)(H,23,25)/b21-12-
InChIKeyIFDRZFQNTANYGN-MTJSOVHGSA-N
XLogP3.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.18
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'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899667
[4-[(E)-[[2-(2,6-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 19660324
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 6176038
2-methyl-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 19061065
N'-[(Z)-[4-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126268678
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4620336
4-methyl-N-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509123
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3,4-dimethylphenyl)oxamide
CID 126170911
N'-[(Z)-[3-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 126260945
N'-[(Z)-[4-[2-(2,6-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(3-methylphenyl)oxamide
CID 126171248
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-[(4-propan-2-yloxyphenyl)methylideneamino]cyclohexane-1-carboxamide
CID 4662117
N'-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 137034416

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide (CID 8899674) is N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide is Cc1cccc(C)c1NC(=O)C(=O)N/N=C\c1ccc(OC(C)C)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide?
The InChIKey is IFDRZFQNTANYGN-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13(2)26-17-10-8-16(9-11-17)12-21-23-20(25)19(24)22-18-14(3)6-5-7-15(18)4/h5-13H,1-4H3,(H,22,24)(H,23,25)/b21-12-.
What are the key properties of N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide?
N-(2,6-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide has a molecular weight of 353.42 g/mol, XLogP of 3.18, 5 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-propan-2-yloxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 8899674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).