2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide

C16H21ClN2O2 — CID 5419189

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
SMILESCc1cc(OCC(=O)N/N=C2/CCC[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-11-4-3-5-13(8-11)18-19-16(20)10-21-14-6-7-15(17)12(2)9-14/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,20)/b18-13-/t11-/m1/s1
InChIKeyYBTWVMJIDNISCO-SHTJFRFBSA-N
MW308.81 g/mol
LogP3.71
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide (PubChem CID 5419189) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
PubChem CID5419189
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide
SMILESCc1cc(OCC(=O)N/N=C2/CCC[C@@H](C)C2)ccc1Cl
InChIInChI=1S/C16H21ClN2O2/c1-11-4-3-5-13(8-11)18-19-16(20)10-21-14-6-7-15(17)12(2)9-14/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,20)/b18-13-/t11-/m1/s1
InChIKeyYBTWVMJIDNISCO-SHTJFRFBSA-N
XLogP3.71
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 53.71
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-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-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082
2-(4-chloro-3-methylphenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 55715629
2-(4-chloro-3-methylphenoxy)-1-(3-methylpiperidin-1-yl)ethanone
CID 112978910
2-(4-chloro-3-methylphenoxy)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11916036
2-(3-chloro-2-methylanilino)-N-[[(3R)-3-methylcyclohexylidene]amino]acetamide
CID 968286
N-(2,4-dichlorophenyl)-N'-[(E)-(3-methylcyclohexylidene)amino]butanediamide
CID 6530772
2-(3-chloro-2-methylanilino)-N-[(3-methylcyclohexylidene)amino]acetamide
CID 4627316

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide (CID 5419189) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide is Cc1cc(OCC(=O)N/N=C2/CCC[C@@H](C)C2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide?
The InChIKey is YBTWVMJIDNISCO-SHTJFRFBSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-4-3-5-13(8-11)18-19-16(20)10-21-14-6-7-15(17)12(2)9-14/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,19,20)/b18-13-/t11-/m1/s1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide has a molecular weight of 308.81 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-[(3R)-3-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 5419189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).