N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide

C19H28N2O2 — CID 124605766

IUPACN'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-13-9-5-7-11-15(13)20-17(22)18(23)21-16-12-8-6-10-14(16)19(2,3)4/h6,8,10,12-13,15H,5,7,9,11H2,1-4H3,(H,20,22)(H,21,23)/t13-,15-/m1/s1
InChIKeyYQKZEGUAPCNVOS-UKRRQHHQSA-N
MW316.44 g/mol
LogP3.62
Rot. Bonds2

About N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide

N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide (PubChem CID 124605766) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
PubChem CID124605766
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C19H28N2O2/c1-13-9-5-7-11-15(13)20-17(22)18(23)21-16-12-8-6-10-14(16)19(2,3)4/h6,8,10,12-13,15H,5,7,9,11H2,1-4H3,(H,20,22)(H,21,23)/t13-,15-/m1/s1
InChIKeyYQKZEGUAPCNVOS-UKRRQHHQSA-N
XLogP3.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-tert-butylphenyl)-N-cycloheptyloxamide
CID 108530177
N-(2-methylcyclohexyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500534
N-(2-methylcyclohexyl)-N'-pyridin-2-yloxamide
CID 108524992
N-(2-methylcyclohexyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108525006
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
N-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
N-(2-tert-butylphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504628
methyl-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 8559716
N-[(1R,2R)-2-methylcyclohexyl]-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 8559717
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604
N'-[(1S,2R)-2-methylcyclohexyl]-N-[(2-methylphenyl)methyl]oxamide
CID 125145081

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide (CID 124605766) is N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide is C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide?
The InChIKey is YQKZEGUAPCNVOS-UKRRQHHQSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-13-9-5-7-11-15(13)20-17(22)18(23)21-16-12-8-6-10-14(16)19(2,3)4/h6,8,10,12-13,15H,5,7,9,11H2,1-4H3,(H,20,22)(H,21,23)/t13-,15-/m1/s1.
What are the key properties of N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide?
N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide has a molecular weight of 316.44 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide is sourced from PubChem (CID 124605766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).