(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane

C26H30ClN3O4 — CID 172959408

IUPAC(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane
SMILESC.CNC(=O)/C(=N\OC)c1ccccc1COc1ncc(C(C)OCc2ccccc2)cc1Cl
InChIInChI=1S/C25H26ClN3O4.CH4/c1-17(32-15-18-9-5-4-6-10-18)20-13-22(26)25(28-14-20)33-16-19-11-7-8-12-21(19)23(29-31-3)24(30)27-2;/h4-14,17H,15-16H2,1-3H3,(H,27,30);1H4/b29-23-;
InChIKeyXXQCMEGHPMHEAL-MBANDDHJSA-N
MW484.00 g/mol
LogP5.32
Rot. Bonds10

About (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane

(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane (PubChem CID 172959408) has the molecular formula C26H30ClN3O4 and a molecular weight of 484.00 g/mol. Its IUPAC name is (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane.

Molecular Properties

Compound Name(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane
PubChem CID172959408
Molecular FormulaC26H30ClN3O4
Molecular Weight484.00 g/mol
Exact Mass483.19
IUPAC Name(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane
SMILESC.CNC(=O)/C(=N\OC)c1ccccc1COc1ncc(C(C)OCc2ccccc2)cc1Cl
InChIInChI=1S/C25H26ClN3O4.CH4/c1-17(32-15-18-9-5-4-6-10-18)20-13-22(26)25(28-14-20)33-16-19-11-7-8-12-21(19)23(29-31-3)24(30)27-2;/h4-14,17H,15-16H2,1-3H3,(H,27,30);1H4/b29-23-;
InChIKeyXXQCMEGHPMHEAL-MBANDDHJSA-N
XLogP5.32
TPSA82.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.00
LogP ≤ 55.32
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

CID 172936037
CID 172936037
(2E)-2-[2-[[3-chloro-5-(1-hydroxy-1-phenylethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59971089
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2E)-2-[2-[(3,5-dichloro-4-methoxyphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87773755
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 141334972
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
2-[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54211615
(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
2-[2-[[3,5-dichloro-4-(2,2-dimethylpropoxy)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 173157091

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane?
The IUPAC name of (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane (CID 172959408) is (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane.
What is the SMILES notation for (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane?
The canonical SMILES for (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane is C.CNC(=O)/C(=N\OC)c1ccccc1COc1ncc(C(C)OCc2ccccc2)cc1Cl.
What is the InChIKey of (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane?
The InChIKey is XXQCMEGHPMHEAL-MBANDDHJSA-N. The full InChI is InChI=1S/C25H26ClN3O4.CH4/c1-17(32-15-18-9-5-4-6-10-18)20-13-22(26)25(28-14-20)33-16-19-11-7-8-12-21(19)23(29-31-3)24(30)27-2;/h4-14,17H,15-16H2,1-3H3,(H,27,30);1H4/b29-23-;.
What are the key properties of (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane?
(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane has a molecular weight of 484.00 g/mol, XLogP of 5.32, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane is sourced from PubChem (CID 172959408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).