2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide

C20H30N2O2 — CID 3896243

IUPAC2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CON=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H30N2O2/c1-15-7-5-6-8-18(15)22-19(23)14-24-21-13-16-9-11-17(12-10-16)20(2,3)4/h9-13,15,18H,5-8,14H2,1-4H3,(H,22,23)
InChIKeyHRVJGJUJKHUWAX-UHFFFAOYSA-N
MW330.47 g/mol
LogP4.03
Rot. Bonds5

About 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide

2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide (PubChem CID 3896243) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
PubChem CID3896243
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
SMILESCC1CCCCC1NC(=O)CON=Cc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H30N2O2/c1-15-7-5-6-8-18(15)22-19(23)14-24-21-13-16-9-11-17(12-10-16)20(2,3)4/h9-13,15,18H,5-8,14H2,1-4H3,(H,22,23)
InChIKeyHRVJGJUJKHUWAX-UHFFFAOYSA-N
XLogP4.03
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 54.03
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

2-[(Z)-benzylideneamino]oxy-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7644084
2-[(Z)-(3-methoxy-4-propoxyphenyl)methylideneamino]oxy-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7700136
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
CID 6599562
2-[[2-(difluoromethoxy)phenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 5171892
2-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide
CID 4535395
N-(2-methylcyclohexyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604907
4-tert-butyl-N-[3-[[(1S,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 6938267
N-cyclopropyl-2-[(Z)-(4-ethylphenyl)methylideneamino]oxyacetamide
CID 7698887
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 4-(trifluoromethyl)benzoate
CID 7505899
2-[(Z)-[2-(5-chloro-2-methoxyanilino)-2-oxoethylidene]amino]oxy-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7667186
5,5-dimethyl-N-[(1R,2S)-2-methylcyclohexyl]hexanamide
CID 99804163
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 11934989

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide (CID 3896243) is 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide is CC1CCCCC1NC(=O)CON=Cc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
The InChIKey is HRVJGJUJKHUWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15-7-5-6-8-18(15)22-19(23)14-24-21-13-16-9-11-17(12-10-16)20(2,3)4/h9-13,15,18H,5-8,14H2,1-4H3,(H,22,23).
What are the key properties of 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide?
2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylphenyl)methylideneamino]oxy-N-(2-methylcyclohexyl)acetamide is sourced from PubChem (CID 3896243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).