(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide

C12H16N2O4 — CID 135073789

IUPAC(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCO/N=C(\C(=O)N(C)OC)c1cccc(OC)c1
InChIInChI=1S/C12H16N2O4/c1-14(18-4)12(15)11(13-17-3)9-6-5-7-10(8-9)16-2/h5-8H,1-4H3/b13-11-
InChIKeyKVQCBUOTRNRSBK-QBFSEMIESA-N
MW252.27 g/mol
LogP1.07
Rot. Bonds5

About (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide

(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 135073789) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide
PubChem CID135073789
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCO/N=C(\C(=O)N(C)OC)c1cccc(OC)c1
InChIInChI=1S/C12H16N2O4/c1-14(18-4)12(15)11(13-17-3)9-6-5-7-10(8-9)16-2/h5-8H,1-4H3/b13-11-
InChIKeyKVQCBUOTRNRSBK-QBFSEMIESA-N
XLogP1.07
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(Z)-N-methoxy-1-(3-methoxyphenyl)propan-1-imine
CID 20642400
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
N-ethyl-3-methoxy-N-methylbenzamide
CID 15816607
2-chloro-1-(3-methoxyphenyl)propan-1-one
CID 45080933
CID 87529110
CID 87529110
2-hydroxy-1-(3-methoxyphenyl)ethanone
CID 23505111
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
4-(dimethylamino)-3-(3-methoxyphenyl)but-3-en-2-one
CID 70412784
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
(3-methoxyphenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159799
sodium;(3-methoxyphenyl)-phenylmethanone;hydroxide
CID 18779399
1-(3-methoxyphenyl)propan-1-one;propane
CID 142960525

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide (CID 135073789) is (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide is CO/N=C(\C(=O)N(C)OC)c1cccc(OC)c1.
What is the InChIKey of (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is KVQCBUOTRNRSBK-QBFSEMIESA-N. The full InChI is InChI=1S/C12H16N2O4/c1-14(18-4)12(15)11(13-17-3)9-6-5-7-10(8-9)16-2/h5-8H,1-4H3/b13-11-.
What are the key properties of (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide?
(2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 252.27 g/mol, XLogP of 1.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methoxy-2-methoxyimino-2-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 135073789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).