N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide

C18H25NO2 — CID 26711840

IUPACN-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H25NO2/c1-14-8-10-15(11-9-14)17(20)12-13-18(21)19-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyIUWNSIHTAZIPSD-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.80
Rot. Bonds5

About N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide

N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide (PubChem CID 26711840) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
PubChem CID26711840
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide
SMILESCc1ccc(C(=O)CCC(=O)NC2CCCCCC2)cc1
InChIInChI=1S/C18H25NO2/c1-14-8-10-15(11-9-14)17(20)12-13-18(21)19-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21)
InChIKeyIUWNSIHTAZIPSD-UHFFFAOYSA-N
XLogP3.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylphenyl)-4-oxo-N-(1-propanoylpiperidin-4-yl)butanamide
CID 108552078
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N,N-dimethyl-4-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]piperidine-1-carboxamide
CID 108560462
N-cyclooctyl-4-methylbenzamide
CID 3995245
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
4-(4-methylphenyl)-4-oxo-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]butanamide
CID 108552084
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 51671096
N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylbenzamide
CID 1262280
N-cyclooctyl-5-oxo-5-phenylpentanamide
CID 20969095
N-[3-(cyclopentylamino)-3-oxopropyl]-4-oxo-4-phenylbutanamide
CID 26721985
N-cyclohexyl-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 18108619
4-(3-aminophenyl)-N-cyclohexyl-4-oxobutanamide
CID 94283308

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide?
The IUPAC name of N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide (CID 26711840) is N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide?
The canonical SMILES for N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)NC2CCCCCC2)cc1.
What is the InChIKey of N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide?
The InChIKey is IUWNSIHTAZIPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-14-8-10-15(11-9-14)17(20)12-13-18(21)19-16-6-4-2-3-5-7-16/h8-11,16H,2-7,12-13H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide?
N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide has a molecular weight of 287.40 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(4-methylphenyl)-4-oxobutanamide is sourced from PubChem (CID 26711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).