2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide

C17H24N2O2 — CID 3307043

IUPAC2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
SMILESCCC1CCCC1=NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C17H24N2O2/c1-4-14-6-5-7-15(14)18-19-17(20)11-21-16-10-12(2)8-9-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyDFAFLBZWPIBUFJ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.36
Rot. Bonds5

About 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide

2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide (PubChem CID 3307043) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
PubChem CID3307043
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide
SMILESCCC1CCCC1=NNC(=O)COc1cc(C)ccc1C
InChIInChI=1S/C17H24N2O2/c1-4-14-6-5-7-15(14)18-19-17(20)11-21-16-10-12(2)8-9-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyDFAFLBZWPIBUFJ-UHFFFAOYSA-N
XLogP3.36
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.36
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-(cyclopentylideneamino)-2-(2,5-dimethylphenoxy)acetamide
CID 921109
2-(1,6-dibromonaphthalen-2-yl)oxy-N-[(2-ethylcyclopentylidene)amino]acetamide
CID 3354478
N-[(Z)-[(1S,5S)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(2,5-dimethylphenoxy)acetamide
CID 9316048
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929726
N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392334
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392333
N'-(2-chloroacetyl)-2-(2,5-dimethylphenoxy)acetohydrazide
CID 166414788
N-[(Z)-1-(4-chlorophenyl)propylideneamino]-2-(2,5-dimethylphenoxy)acetamide
CID 7813174
N-[2-[2-[2-(2,5-dimethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
CID 4925440
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
CID 5419588
2-(2,5-dimethylphenoxy)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2709177

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide (CID 3307043) is 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide is CCC1CCCC1=NNC(=O)COc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide?
The InChIKey is DFAFLBZWPIBUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-14-6-5-7-15(14)18-19-17(20)11-21-16-10-12(2)8-9-13(16)3/h8-10,14H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide?
2-(2,5-dimethylphenoxy)-N-[(2-ethylcyclopentylidene)amino]acetamide has a molecular weight of 288.39 g/mol, XLogP of 3.36, 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-ethylcyclopentylidene)amino]acetamide is sourced from PubChem (CID 3307043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).