N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

C20H25N3O4 — CID 8883525

IUPACN-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cn2ccccc2=O)ccc1OCCC(C)C
InChIInChI=1S/C20H25N3O4/c1-15(2)9-11-27-17-8-7-16(12-18(17)26-3)13-21-22-19(24)14-23-10-5-4-6-20(23)25/h4-8,10,12-13,15H,9,11,14H2,1-3H3,(H,22,24)/b21-13-
InChIKeyOCGYKAQOWIJBAN-BKUYFWCQSA-N
MW371.44 g/mol
LogP2.43
Rot. Bonds9

About N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide

N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (PubChem CID 8883525) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
PubChem CID8883525
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
SMILESCOc1cc(/C=N\NC(=O)Cn2ccccc2=O)ccc1OCCC(C)C
InChIInChI=1S/C20H25N3O4/c1-15(2)9-11-27-17-8-7-16(12-18(17)26-3)13-21-22-19(24)14-23-10-5-4-6-20(23)25/h4-8,10,12-13,15H,9,11,14H2,1-3H3,(H,22,24)/b21-13-
InChIKeyOCGYKAQOWIJBAN-BKUYFWCQSA-N
XLogP2.43
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide
CID 8883606
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]acetamide
CID 9074141
[[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]urea
CID 2588719
3,4,5-triethoxy-N-[(E)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]benzamide
CID 16556056
N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 8981647
N-[[4-[2-[4-[(benzoylhydrazinylidene)methyl]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 70231096
N,N'-bis[(3,4-dimethoxyphenyl)methylideneamino]propanediamide
CID 5144233
2-[2-[[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135510184
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]propanediamide
CID 6004946
2-(4-benzylpiperazin-1-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 3846849
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
2-(2,4-dimethylphenoxy)-N-[(E)-[3-methoxy-4-(2-phenylethoxy)phenyl]methylideneamino]acetamide
CID 19190457

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The IUPAC name of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide (CID 8883525) is N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide.
What is the SMILES notation for N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The canonical SMILES for N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is COc1cc(/C=N\NC(=O)Cn2ccccc2=O)ccc1OCCC(C)C.
What is the InChIKey of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
The InChIKey is OCGYKAQOWIJBAN-BKUYFWCQSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-15(2)9-11-27-17-8-7-16(12-18(17)26-3)13-21-22-19(24)14-23-10-5-4-6-20(23)25/h4-8,10,12-13,15H,9,11,14H2,1-3H3,(H,22,24)/b21-13-.
What are the key properties of N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide?
N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-methoxy-4-(3-methylbutoxy)phenyl]methylideneamino]-2-(2-oxo-1-pyridinyl)acetamide is sourced from PubChem (CID 8883525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).