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

C20H26N2O2 — CID 3305379

IUPAC2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)COc2cc(C)ccc2C)C1
InChIInChI=1S/C20H26N2O2/c1-13(2)17-9-8-15(4)18(11-17)21-22-20(23)12-24-19-10-14(3)6-7-16(19)5/h6-8,10,17H,1,9,11-12H2,2-5H3,(H,22,23)
InChIKeyLQSSNDBFZUVILS-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.09
Rot. Bonds5

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

2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide (PubChem CID 3305379) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
PubChem CID3305379
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
SMILESC=C(C)C1CC=C(C)C(=NNC(=O)COc2cc(C)ccc2C)C1
InChIInChI=1S/C20H26N2O2/c1-13(2)17-9-8-15(4)18(11-17)21-22-20(23)12-24-19-10-14(3)6-7-16(19)5/h6-8,10,17H,1,9,11-12H2,2-5H3,(H,22,23)
InChIKeyLQSSNDBFZUVILS-UHFFFAOYSA-N
XLogP4.09
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.09
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-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
2-(4-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742959
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-(2,4-dichlorophenoxy)-N-[[(5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 1011507
2-(3-methylphenoxy)-N-[[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]acetamide
CID 742967
2-(4-chloro-3,5-dimethylphenoxy)-N-[(Z)-(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 6122662
4-methyl-N-[(Z)-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]amino]benzamide
CID 5410881
N-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316048
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
2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
CID 3307043

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide (CID 3305379) is 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide is C=C(C)C1CC=C(C)C(=NNC(=O)COc2cc(C)ccc2C)C1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
The InChIKey is LQSSNDBFZUVILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13(2)17-9-8-15(4)18(11-17)21-22-20(23)12-24-19-10-14(3)6-7-16(19)5/h6-8,10,17H,1,9,11-12H2,2-5H3,(H,22,23).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide?
2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide has a molecular weight of 326.44 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide is sourced from PubChem (CID 3305379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).