N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide

C19H26N2O3 — CID 922595

IUPACN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=C1CC(=O)CC(C)(C)C1
InChIInChI=1S/C19H26N2O3/c1-13(2)16-7-5-6-8-17(16)24-12-18(23)21-20-14-9-15(22)11-19(3,4)10-14/h5-8,13H,9-12H2,1-4H3,(H,21,23)
InChIKeyOKDZDJKHGWTAMW-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.44
Rot. Bonds5

About N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 922595) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID922595
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC NameN-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccccc1OCC(=O)NN=C1CC(=O)CC(C)(C)C1
InChIInChI=1S/C19H26N2O3/c1-13(2)16-7-5-6-8-17(16)24-12-18(23)21-20-14-9-15(22)11-19(3,4)10-14/h5-8,13H,9-12H2,1-4H3,(H,21,23)
InChIKeyOKDZDJKHGWTAMW-UHFFFAOYSA-N
XLogP3.44
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.44
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

N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-naphthalen-1-yloxyacetamide
CID 922131
N-(cyclododecylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 54785656
N-[(E)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2,5-dimethylphenoxy)acetamide
CID 5419588
2-(2-bromo-4-methylphenoxy)-N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
CID 1011923
2-(2-ethoxyphenoxy)-N-[(Z)-(3-oxocyclohexylidene)amino]acetamide
CID 6520128
2-(4-bromo-3-methylphenoxy)-N-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]acetamide
CID 6130309
N'-[(Z)-(3,3-dimethyl-5-oxocyclohexylidene)amino]-N-phenylbutanediamide
CID 5349687
N-(3,4-dihydro-2H-naphthalen-1-ylideneamino)-2-(2-propan-2-ylphenoxy)acetamide
CID 922588
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714
N-propan-2-yl-2-(2-propan-2-ylphenoxy)acetamide
CID 19168088
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 135609478
2-(2-methoxyphenoxy)-N-[(Z)-[(5R)-3,3,5-trimethylcyclohexylidene]amino]acetamide
CID 7689241

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide (CID 922595) is N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide is CC(C)c1ccccc1OCC(=O)NN=C1CC(=O)CC(C)(C)C1.
What is the InChIKey of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is OKDZDJKHGWTAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-13(2)16-7-5-6-8-17(16)24-12-18(23)21-20-14-9-15(22)11-19(3,4)10-14/h5-8,13H,9-12H2,1-4H3,(H,21,23).
What are the key properties of N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide?
N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 330.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethyl-5-oxocyclohexylidene)amino]-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 922595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).