(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide

C18H26N4O4 — CID 11187591

IUPAC(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide
SMILESCCC(=N\Oc1ccccc1/C(=N/OC)C(=O)NC)/C(C)=N/OC(C)C
InChIInChI=1S/C18H26N4O4/c1-7-15(13(4)20-25-12(2)3)21-26-16-11-9-8-10-14(16)17(22-24-6)18(23)19-5/h8-12H,7H2,1-6H3,(H,19,23)/b20-13+,21-15+,22-17-
InChIKeyRMNVWTYLXNPCRT-YGKYSWEFSA-N
MW362.43 g/mol
LogP2.73
Rot. Bonds9

About (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide

(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide (PubChem CID 11187591) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide.

Molecular Properties

Compound Name(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide
PubChem CID11187591
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC Name(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide
SMILESCCC(=N\Oc1ccccc1/C(=N/OC)C(=O)NC)/C(C)=N/OC(C)C
InChIInChI=1S/C18H26N4O4/c1-7-15(13(4)20-25-12(2)3)21-26-16-11-9-8-10-14(16)17(22-24-6)18(23)19-5/h8-12H,7H2,1-6H3,(H,19,23)/b20-13+,21-15+,22-17-
InChIKeyRMNVWTYLXNPCRT-YGKYSWEFSA-N
XLogP2.73
TPSA93.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide?
The IUPAC name of (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide (CID 11187591) is (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide.
What is the SMILES notation for (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide?
The canonical SMILES for (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide is CCC(=N\Oc1ccccc1/C(=N/OC)C(=O)NC)/C(C)=N/OC(C)C.
What is the InChIKey of (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide?
The InChIKey is RMNVWTYLXNPCRT-YGKYSWEFSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-7-15(13(4)20-25-12(2)3)21-26-16-11-9-8-10-14(16)17(22-24-6)18(23)19-5/h8-12H,7H2,1-6H3,(H,19,23)/b20-13+,21-15+,22-17-.
What are the key properties of (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide?
(2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-methoxyimino-N-methyl-2-[2-[(E)-[(2E)-2-propan-2-yloxyiminopentan-3-ylidene]amino]oxyphenyl]acetamide is sourced from PubChem (CID 11187591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).