N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide

C17H23NO2 — CID 94282724

IUPACN-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCCCCC2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-12-9-10-15(13(2)11-12)16(19)17(20)18-14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H,18,20)
InChIKeyDEPBMYLHOBXVRU-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.33
Rot. Bonds3

About N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide

N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide (PubChem CID 94282724) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
PubChem CID94282724
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC NameN-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
SMILESCc1ccc(C(=O)C(=O)NC2CCCCCC2)c(C)c1
InChIInChI=1S/C17H23NO2/c1-12-9-10-15(13(2)11-12)16(19)17(20)18-14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H,18,20)
InChIKeyDEPBMYLHOBXVRU-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(2,4-dimethylphenyl)-2-oxoacetamide
CID 82118308
N-cyclohexyl-2-(2,5-dimethylphenyl)-2-oxoacetamide
CID 82121275
N-cyclododecyl-2,4-dimethylbenzamide
CID 19656258
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2,4-dimethylbenzoate
CID 40699149
N-cyclohexyl-2,5-dimethylbenzamide
CID 925443
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-[2-(cyclohexylcarbamoyl)phenyl]-2,4-dimethylbenzamide
CID 100720174
N-cycloheptyl-2-(2-methoxyphenyl)-2-oxoacetamide
CID 94283969
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648
N-(azepan-4-yl)-2,4-dimethylbenzamide
CID 105058394
1-cyclopentyl-3-[(2,4-dimethylphenyl)methyl]urea
CID 47322167

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide?
The IUPAC name of N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide (CID 94282724) is N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide?
The canonical SMILES for N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide is Cc1ccc(C(=O)C(=O)NC2CCCCCC2)c(C)c1.
What is the InChIKey of N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide?
The InChIKey is DEPBMYLHOBXVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-9-10-15(13(2)11-12)16(19)17(20)18-14-7-5-3-4-6-8-14/h9-11,14H,3-8H2,1-2H3,(H,18,20).
What are the key properties of N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide?
N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide has a molecular weight of 273.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,4-dimethylphenyl)-2-oxoacetamide is sourced from PubChem (CID 94282724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).