2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide

C18H26N2O3 — CID 7689241

IUPAC2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C1/C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C18H26N2O3/c1-13-9-14(11-18(2,3)10-13)19-20-17(21)12-23-16-8-6-5-7-15(16)22-4/h5-8,13H,9-12H2,1-4H3,(H,20,21)/b19-14-/t13-/m0/s1
InChIKeyNJWJLDALIHWMQI-ISNHLSKGSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds5

About 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide

2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide (PubChem CID 7689241) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
PubChem CID7689241
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
SMILESCOc1ccccc1OCC(=O)N/N=C1/C[C@H](C)CC(C)(C)C1
InChIInChI=1S/C18H26N2O3/c1-13-9-14(11-18(2,3)10-13)19-20-17(21)12-23-16-8-6-5-7-15(16)22-4/h5-8,13H,9-12H2,1-4H3,(H,20,21)/b19-14-/t13-/m0/s1
InChIKeyNJWJLDALIHWMQI-ISNHLSKGSA-N
XLogP3.39
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
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-(4-cyanophenoxy)-N-[(Z)-[(5S)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 9316535
N-[[(2R,6S)-2,6-dimethylcyclohexylidene]amino]-2-(2-methoxyphenoxy)acetamide
CID 9315686
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
CID 6934624
2-(2-methoxyphenoxy)-N'-[(5R)-3,3,5-trimethylcyclohexen-1-yl]acetohydrazide
CID 2388249
2-(2-methoxyphenoxy)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]acetamide
CID 7530089
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 922131
N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]-2-(2-phenylphenoxy)acetamide
CID 7530082
3-hydroxy-N-[[(5S)-3,3,5-trimethylcyclohexylidene]amino]naphthalene-2-carboxamide
CID 129431751
1-[[2-(2-methoxyphenoxy)acetyl]amino]-2-phenylcyclopropane-1-carboxylic acid
CID 84559632
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-ylideneamino)acetamide
CID 4560808

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide (CID 7689241) is 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide is COc1ccccc1OCC(=O)N/N=C1/C[C@H](C)CC(C)(C)C1.
What is the InChIKey of 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
The InChIKey is NJWJLDALIHWMQI-ISNHLSKGSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-9-14(11-18(2,3)10-13)19-20-17(21)12-23-16-8-6-5-7-15(16)22-4/h5-8,13H,9-12H2,1-4H3,(H,20,21)/b19-14-/t13-/m0/s1.
What are the key properties of 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide?
2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 7689241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).