2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide

C14H19ClN2O2 — CID 3467390

IUPAC2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-10(14(2,3)4)16-17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyLSMBCUYBXLQNSL-UHFFFAOYSA-N
MW282.77 g/mol
LogP3.26
Rot. Bonds4

About 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide

2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide (PubChem CID 3467390) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
PubChem CID3467390
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide
SMILESCC(=NNC(=O)COc1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C14H19ClN2O2/c1-10(14(2,3)4)16-17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,9H2,1-4H3,(H,17,18)
InChIKeyLSMBCUYBXLQNSL-UHFFFAOYSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-3,3-dimethylbutan-2-ylideneamino]-2-phenoxyacetamide
CID 6381920
N-(3,3-dimethylbutan-2-ylideneamino)-2-(4-phenylphenoxy)acetamide
CID 3270938
2-(2,4-dichlorophenoxy)-N-[(Z)-3,3-dimethylbutan-2-ylideneamino]acetamide
CID 6135498
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(4-chlorophenoxy)-N-(methylideneamino)acetamide
CID 18773797
2-(4-chlorophenoxy)-N-[(Z)-1-(2,3,4-trichlorophenyl)ethylideneamino]acetamide
CID 7934897
2-(4-tert-butylphenoxy)-N-[(Z)-(4-chlorophenyl)methylideneamino]acetamide
CID 5419819
5-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826478
2-(4-chlorophenoxy)-N-[1-(2,4-dimethylphenyl)ethylideneamino]acetamide
CID 4146329
(3Z)-3-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]-N-phenylbutanamide
CID 6387241
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
N-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,2-trifluoroacetamide
CID 6271601

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide (CID 3467390) is 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide is CC(=NNC(=O)COc1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide?
The InChIKey is LSMBCUYBXLQNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10(14(2,3)4)16-17-13(18)9-19-12-7-5-11(15)6-8-12/h5-8H,9H2,1-4H3,(H,17,18).
What are the key properties of 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide?
2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide has a molecular weight of 282.77 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(3,3-dimethylbutan-2-ylideneamino)acetamide is sourced from PubChem (CID 3467390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).