N'-(2-tert-butylphenyl)-N-cycloheptyloxamide

C19H28N2O2 — CID 108530177

IUPACN'-(2-tert-butylphenyl)-N-cycloheptyloxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)15-12-8-9-13-16(15)21-18(23)17(22)20-14-10-6-4-5-7-11-14/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVYKADXUJCAAXEZ-UHFFFAOYSA-N
MW316.44 g/mol
LogP3.76
Rot. Bonds2

About N'-(2-tert-butylphenyl)-N-cycloheptyloxamide

N'-(2-tert-butylphenyl)-N-cycloheptyloxamide (PubChem CID 108530177) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is N'-(2-tert-butylphenyl)-N-cycloheptyloxamide.

Molecular Properties

Compound NameN'-(2-tert-butylphenyl)-N-cycloheptyloxamide
PubChem CID108530177
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC NameN'-(2-tert-butylphenyl)-N-cycloheptyloxamide
SMILESCC(C)(C)c1ccccc1NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)15-12-8-9-13-16(15)21-18(23)17(22)20-14-10-6-4-5-7-11-14/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyVYKADXUJCAAXEZ-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
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-cyclopentyl-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000423
N'-(2-tert-butylphenyl)-N-[(1R,2R)-2-methylcyclohexyl]oxamide
CID 124605766
1-N'-(2-tert-butylphenyl)-1-N-cyclohexylcyclopropane-1,1-dicarboxamide
CID 108972233
N-cyclopentyl-N'-(2-methylphenyl)oxamide
CID 2290931
N'-(2-chlorophenyl)-N-cyclohexyloxamide
CID 7541659
N-(2-tert-butylphenyl)cyclopentanecarboxamide
CID 7688669
N-cyclododecyl-N'-naphthalen-1-yloxamide
CID 108517411
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
4-N-(2-tert-butylphenyl)-2-N-cyclohexylpyridine-2,4-dicarboxamide
CID 109081588
N-cyclohexyl-N'-phenyloxamide
CID 2271218
N-cycloheptyl-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108966127

Frequently Asked Questions

What is the IUPAC name of N'-(2-tert-butylphenyl)-N-cycloheptyloxamide?
The IUPAC name of N'-(2-tert-butylphenyl)-N-cycloheptyloxamide (CID 108530177) is N'-(2-tert-butylphenyl)-N-cycloheptyloxamide.
What is the SMILES notation for N'-(2-tert-butylphenyl)-N-cycloheptyloxamide?
The canonical SMILES for N'-(2-tert-butylphenyl)-N-cycloheptyloxamide is CC(C)(C)c1ccccc1NC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N'-(2-tert-butylphenyl)-N-cycloheptyloxamide?
The InChIKey is VYKADXUJCAAXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)15-12-8-9-13-16(15)21-18(23)17(22)20-14-10-6-4-5-7-11-14/h8-9,12-14H,4-7,10-11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N'-(2-tert-butylphenyl)-N-cycloheptyloxamide?
N'-(2-tert-butylphenyl)-N-cycloheptyloxamide has a molecular weight of 316.44 g/mol, XLogP of 3.76, 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-cycloheptyloxamide is sourced from PubChem (CID 108530177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).