N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide

C21H24N2O2 — CID 3270935

IUPACN-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
SMILESCC1CCCC(=NNC(=O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H24N2O2/c1-16-6-5-9-19(14-16)22-23-21(24)15-25-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-4,7-8,10-13,16H,5-6,9,14-15H2,1H3,(H,23,24)
InChIKeyNCAOEOCFEGCZTE-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.41
Rot. Bonds5

About N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide

N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide (PubChem CID 3270935) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
PubChem CID3270935
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide
SMILESCC1CCCC(=NNC(=O)COc2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C21H24N2O2/c1-16-6-5-9-19(14-16)22-23-21(24)15-25-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-4,7-8,10-13,16H,5-6,9,14-15H2,1H3,(H,23,24)
InChIKeyNCAOEOCFEGCZTE-UHFFFAOYSA-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

N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082
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-(cyclopentylideneamino)-2-(4-phenylphenoxy)acetamide
CID 4562068
N-[(Z)-(3-methylcyclohexylidene)amino]-2-(4-nitrophenoxy)acetamide
CID 6916225
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 5419189
N-[(3-methylcyclohexylidene)amino]-4-prop-2-enoxybenzamide
CID 4925778
N-(cyclooctylideneamino)-2-(4-methylphenoxy)acetamide
CID 54786886
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenoxyethoxy)benzamide
CID 7435064
N-(cyclohexylideneamino)-2-(4-phenylmethoxyphenoxy)acetamide
CID 29154497
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]-2-(4-phenylphenoxy)acetamide
CID 9316703

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide?
The IUPAC name of N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide (CID 3270935) is N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide?
The canonical SMILES for N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide is CC1CCCC(=NNC(=O)COc2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide?
The InChIKey is NCAOEOCFEGCZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-6-5-9-19(14-16)22-23-21(24)15-25-20-12-10-18(11-13-20)17-7-3-2-4-8-17/h2-4,7-8,10-13,16H,5-6,9,14-15H2,1H3,(H,23,24).
What are the key properties of N-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide?
N-[(3-methylcyclohexylidene)amino]-2-(4-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-[(3-methylcyclohexylidene)amino]-2-(4-phenylphenoxy)acetamide is sourced from PubChem (CID 3270935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).