N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide

C21H24N2O2 — CID 7530082

IUPACN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
SMILESC[C@H]1CCC/C(=N/NC(=O)COc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-16-8-7-11-18(14-16)22-23-21(24)15-25-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-6,9-10,12-13,16H,7-8,11,14-15H2,1H3,(H,23,24)/b22-18-/t16-/m0/s1
InChIKeyISLIKUXABFNZFI-NLFAIWHDSA-N
MW336.44 g/mol
LogP4.41
Rot. Bonds5

About N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide

N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide (PubChem CID 7530082) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
PubChem CID7530082
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
SMILESC[C@H]1CCC/C(=N/NC(=O)COc2ccccc2-c2ccccc2)C1
InChIInChI=1S/C21H24N2O2/c1-16-8-7-11-18(14-16)22-23-21(24)15-25-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-6,9-10,12-13,16H,7-8,11,14-15H2,1H3,(H,23,24)/b22-18-/t16-/m0/s1
InChIKeyISLIKUXABFNZFI-NLFAIWHDSA-N
XLogP4.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.41
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

2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
CID 3270935
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-naphthalen-2-yloxyacetamide
CID 5428311
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6916225
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064
2-(2-methoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9315773
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
CID 7478838
N-[(E)-[(3S)-3-methylcyclohexylidene]amino]-2,2-diphenylacetamide
CID 6338711
2-(2-methylphenoxy)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 5089372

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide (CID 7530082) is N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide is C[C@H]1CCC/C(=N/NC(=O)COc2ccccc2-c2ccccc2)C1.
What is the InChIKey of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide?
The InChIKey is ISLIKUXABFNZFI-NLFAIWHDSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-8-7-11-18(14-16)22-23-21(24)15-25-20-13-6-5-12-19(20)17-9-3-2-4-10-17/h2-6,9-10,12-13,16H,7-8,11,14-15H2,1H3,(H,23,24)/b22-18-/t16-/m0/s1.
What are the key properties of N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide?
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide has a molecular weight of 336.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 7530082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).