N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide

C17H24N2O3 — CID 9315686

IUPACN-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C1/[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-12-7-6-8-13(2)17(12)19-18-16(20)11-22-15-10-5-4-9-14(15)21-3/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,18,20)/b19-17-/t12-,13+/m1/s1
InChIKeyMCLAQAHZSLBXMB-XRXOUNIRSA-N
MW304.39 g/mol
LogP3.00
Rot. Bonds5

About N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide

N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide (PubChem CID 9315686) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide
PubChem CID9315686
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C1/[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H24N2O3/c1-12-7-6-8-13(2)17(12)19-18-16(20)11-22-15-10-5-4-9-14(15)21-3/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,18,20)/b19-17-/t12-,13+/m1/s1
InChIKeyMCLAQAHZSLBXMB-XRXOUNIRSA-N
XLogP3.00
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.00
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-[(Z)-(3-methylcyclohexylidene)amino]acetamide
CID 6527756
2-(2-methoxyphenoxy)-N-[(4-methylcyclohexylidene)amino]acetamide
CID 9315773
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]acetamide
CID 7530089
2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 7689241
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
CID 4560808
methyl 1-[2-(2-methoxyphenoxy)acetyl]piperidine-3-carboxylate
CID 108731344
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
1-cyclopropyl-2-(2-methoxyphenoxy)ethanone
CID 63914033
2-(2-methoxyphenoxy)-N-piperidin-4-ylacetamide
CID 28810945
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide (CID 9315686) is N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide is COc1ccccc1OCC(=O)N/N=C1/[C@H](C)CCC[C@@H]1C.
What is the InChIKey of N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is MCLAQAHZSLBXMB-XRXOUNIRSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12-7-6-8-13(2)17(12)19-18-16(20)11-22-15-10-5-4-9-14(15)21-3/h4-5,9-10,12-13H,6-8,11H2,1-3H3,(H,18,20)/b19-17-/t12-,13+/m1/s1.
What are the key properties of N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide?
N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 304.39 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 9315686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).