2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide

C14H19ClN2O2 — CID 88846967

IUPAC2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide
SMILESC=NOCN(C(=O)CCl)c1c(C)ccc(CC)c1C
InChIInChI=1S/C14H19ClN2O2/c1-5-12-7-6-10(2)14(11(12)3)17(9-19-16-4)13(18)8-15/h6-7H,4-5,8-9H2,1-3H3
InChIKeyXVKRJESCQAZBPS-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.03
Rot. Bonds6

About 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide

2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide (PubChem CID 88846967) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide
PubChem CID88846967
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide
SMILESC=NOCN(C(=O)CCl)c1c(C)ccc(CC)c1C
InChIInChI=1S/C14H19ClN2O2/c1-5-12-7-6-10(2)14(11(12)3)17(9-19-16-4)13(18)8-15/h6-7H,4-5,8-9H2,1-3H3
InChIKeyXVKRJESCQAZBPS-UHFFFAOYSA-N
XLogP3.03
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide?
The IUPAC name of 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide (CID 88846967) is 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide.
What is the SMILES notation for 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide?
The canonical SMILES for 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide is C=NOCN(C(=O)CCl)c1c(C)ccc(CC)c1C.
What is the InChIKey of 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide?
The InChIKey is XVKRJESCQAZBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-5-12-7-6-10(2)14(11(12)3)17(9-19-16-4)13(18)8-15/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide?
2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide has a molecular weight of 282.77 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethyl-2,6-dimethylphenyl)-N-[(methylideneamino)oxymethyl]acetamide is sourced from PubChem (CID 88846967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).