2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide

C16H19N3O2 — CID 9467608

IUPAC2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
SMILESCC1CCC(=NNC(=O)COc2ccccc2C#N)CC1
InChIInChI=1S/C16H19N3O2/c1-12-6-8-14(9-7-12)18-19-16(20)11-21-15-5-3-2-4-13(15)10-17/h2-5,12H,6-9,11H2,1H3,(H,19,20)/b18-14-
InChIKeyGJDTWYQLHMWEFZ-JXAWBTAJSA-N
MW285.35 g/mol
LogP2.62
Rot. Bonds4

About 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide

2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide (PubChem CID 9467608) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
PubChem CID9467608
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
SMILESCC1CCC(=NNC(=O)COc2ccccc2C#N)CC1
InChIInChI=1S/C16H19N3O2/c1-12-6-8-14(9-7-12)18-19-16(20)11-21-15-5-3-2-4-13(15)10-17/h2-5,12H,6-9,11H2,1H3,(H,19,20)/b18-14-
InChIKeyGJDTWYQLHMWEFZ-JXAWBTAJSA-N
XLogP2.62
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-(2-methoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9315773
N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(2-cyanophenoxy)acetamide
CID 9467674
2-(2-cyanophenoxy)-N-(fluoren-9-ylideneamino)acetamide
CID 9467609
2-(2-cyanophenoxy)-N-(1-phenylethylideneamino)acetamide
CID 766684
2-(2-cyanophenoxy)-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 9033723
2-(2-cyanophenoxy)-N-(heptan-4-ylideneamino)acetamide
CID 9467595
2-(2-cyanophenoxy)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 47189935
2-(4-butoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 4196468
2-(2-cyanophenoxy)-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]acetamide
CID 9467470
2-(2-cyanophenoxy)-N-(3,3-dimethylcyclopentyl)acetamide
CID 115880584
2-(2-cyanophenoxy)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 6601783
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide (CID 9467608) is 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide is CC1CCC(=NNC(=O)COc2ccccc2C#N)CC1.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
The InChIKey is GJDTWYQLHMWEFZ-JXAWBTAJSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-6-8-14(9-7-12)18-19-16(20)11-21-15-5-3-2-4-13(15)10-17/h2-5,12H,6-9,11H2,1H3,(H,19,20)/b18-14-.
What are the key properties of 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide?
2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide has a molecular weight of 285.35 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide is sourced from PubChem (CID 9467608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).