2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide

C19H28N2O2 — CID 7929758

IUPAC2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N2O2/c1-14-7-5-6-8-17(14)20-21-18(22)13-23-16-11-9-15(10-12-16)19(2,3)4/h9-12,14H,5-8,13H2,1-4H3,(H,21,22)/b20-17-/t14-/m0/s1
InChIKeyGJJBQGLINYEAOA-UXPDKRSESA-N
MW316.45 g/mol
LogP4.05
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide

2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide (PubChem CID 7929758) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
PubChem CID7929758
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Name2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide
SMILESC[C@H]1CCCC/C1=N/NC(=O)COc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H28N2O2/c1-14-7-5-6-8-17(14)20-21-18(22)13-23-16-11-9-15(10-12-16)19(2,3)4/h9-12,14H,5-8,13H2,1-4H3,(H,21,22)/b20-17-/t14-/m0/s1
InChIKeyGJJBQGLINYEAOA-UXPDKRSESA-N
XLogP4.05
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.05
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'}

Analyze 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-[(E)-(2-methylcyclohexylidene)amino]benzamide
CID 6381697
N-[[(2R)-2-methylcyclohexylidene]amino]-2-(2,4,5-trichlorophenoxy)acetamide
CID 1219472
2-(4-tert-butylphenoxy)-N-[(Z)-2,3-dihydroinden-1-ylideneamino]acetamide
CID 7929753
N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392334
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(4-methyl-2-propan-2-ylphenoxy)acetamide
CID 7392333
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 7929726
N-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-4-(phenoxymethyl)benzamide
CID 8518251
N,N'-bis[(2-methylcyclohexylidene)amino]heptanediamide
CID 4657097
2-(4-chloroanilino)-N-[(Z)-(2-methylcyclohexylidene)amino]acetamide
CID 5333078
2-(4-ethylphenoxy)-N-[(Z)-[(3S)-3-methylcyclohexylidene]amino]acetamide
CID 7823428
(2S)-2-(4-ethoxyanilino)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]propanamide
CID 26869544
N'-[(Z)-[(2R)-2-methylcyclohexylidene]amino]-N-phenylbutanediamide
CID 5413708

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide (CID 7929758) is 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide is C[C@H]1CCCC/C1=N/NC(=O)COc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
The InChIKey is GJJBQGLINYEAOA-UXPDKRSESA-N. The full InChI is InChI=1S/C19H28N2O2/c1-14-7-5-6-8-17(14)20-21-18(22)13-23-16-11-9-15(10-12-16)19(2,3)4/h9-12,14H,5-8,13H2,1-4H3,(H,21,22)/b20-17-/t14-/m0/s1.
What are the key properties of 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide?
2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide has a molecular weight of 316.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[(Z)-[(2S)-2-methylcyclohexylidene]amino]acetamide is sourced from PubChem (CID 7929758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).