(2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide

C15H21N3O3 — CID 21191529

IUPAC(2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide
SMILESCO/N=C(C(=O)N(C)C)/C(C)=N/OCc1ccc(C)cc1
InChIInChI=1S/C15H21N3O3/c1-11-6-8-13(9-7-11)10-21-16-12(2)14(17-20-5)15(19)18(3)4/h6-9H,10H2,1-5H3/b16-12+,17-14-
InChIKeyBFXSCKCBNRQYHH-KWOQVVRBSA-N
MW291.35 g/mol
LogP1.98
Rot. Bonds6

About (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide

(2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide (PubChem CID 21191529) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide.

Molecular Properties

Compound Name(2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide
PubChem CID21191529
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name(2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide
SMILESCO/N=C(C(=O)N(C)C)/C(C)=N/OCc1ccc(C)cc1
InChIInChI=1S/C15H21N3O3/c1-11-6-8-13(9-7-11)10-21-16-12(2)14(17-20-5)15(19)18(3)4/h6-9H,10H2,1-5H3/b16-12+,17-14-
InChIKeyBFXSCKCBNRQYHH-KWOQVVRBSA-N
XLogP1.98
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide?
The IUPAC name of (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide (CID 21191529) is (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide.
What is the SMILES notation for (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide?
The canonical SMILES for (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide is CO/N=C(C(=O)N(C)C)/C(C)=N/OCc1ccc(C)cc1.
What is the InChIKey of (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide?
The InChIKey is BFXSCKCBNRQYHH-KWOQVVRBSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-6-8-13(9-7-11)10-21-16-12(2)14(17-20-5)15(19)18(3)4/h6-9H,10H2,1-5H3/b16-12+,17-14-.
What are the key properties of (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide?
(2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide has a molecular weight of 291.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3E)-2-methoxyimino-N,N-dimethyl-3-[(4-methylphenyl)methoxyimino]butanamide is sourced from PubChem (CID 21191529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).