2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide

C20H25ClN2O2 — CID 6122662

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
SMILESC=C(C)C1CC=C(C)/C(=N\NC(=O)COc2cc(C)c(Cl)c(C)c2)C1
InChIInChI=1S/C20H25ClN2O2/c1-12(2)16-7-6-13(3)18(10-16)22-23-19(24)11-25-17-8-14(4)20(21)15(5)9-17/h6,8-9,16H,1,7,10-11H2,2-5H3,(H,23,24)/b22-18-
InChIKeyVGXQGSYHARJIEO-PYCFMQQDSA-N
MW360.89 g/mol
LogP4.74
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide (PubChem CID 6122662) has the molecular formula C20H25ClN2O2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
PubChem CID6122662
Molecular FormulaC20H25ClN2O2
Molecular Weight360.89 g/mol
Exact Mass360.16
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
SMILESC=C(C)C1CC=C(C)/C(=N\NC(=O)COc2cc(C)c(Cl)c(C)c2)C1
InChIInChI=1S/C20H25ClN2O2/c1-12(2)16-7-6-13(3)18(10-16)22-23-19(24)11-25-17-8-14(4)20(21)15(5)9-17/h6,8-9,16H,1,7,10-11H2,2-5H3,(H,23,24)/b22-18-
InChIKeyVGXQGSYHARJIEO-PYCFMQQDSA-N
XLogP4.74
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742959
2-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 1011507
2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 3305379
2-(3-methylphenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742972
2-(3-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742967
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
2-(4-bromo-2-methylphenoxy)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 5433075
2-(2-chloroanilino)-N-[(Z)-[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 25367751
2-chloro-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]benzamide
CID 4208427
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
1-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]-3-phenylurea
CID 738962
4-(butanoylamino)-N-[(E)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 38055725

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide (CID 6122662) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide is C=C(C)C1CC=C(C)/C(=N\NC(=O)COc2cc(C)c(Cl)c(C)c2)C1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
The InChIKey is VGXQGSYHARJIEO-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H25ClN2O2/c1-12(2)16-7-6-13(3)18(10-16)22-23-19(24)11-25-17-8-14(4)20(21)15(5)9-17/h6,8-9,16H,1,7,10-11H2,2-5H3,(H,23,24)/b22-18-.
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide has a molecular weight of 360.89 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide is sourced from PubChem (CID 6122662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).