2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

C22H25NO3 — CID 44762851

IUPAC2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO3/c1-26-20-13-7-16(8-14-20)15-23-22(25)21(24)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,23,25)
InChIKeyBUACJSMNLQPAAA-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.24
Rot. Bonds6

About 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (PubChem CID 44762851) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
PubChem CID44762851
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
SMILESCOc1ccc(CNC(=O)C(=O)c2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C22H25NO3/c1-26-20-13-7-16(8-14-20)15-23-22(25)21(24)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,23,25)
InChIKeyBUACJSMNLQPAAA-UHFFFAOYSA-N
XLogP4.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-2-(4-methoxyphenyl)-2-oxoacetamide
CID 11414317
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N-[(4-cyclopentylphenyl)methyl]acetamide
CID 66695215
1-[(4-cyclohexylphenyl)methyl]-3-methylurea
CID 115169108
2-(4-cyclohexylphenyl)-2-oxo-N-propan-2-ylacetamide
CID 94282738
methyl 4-[(4-cyclohexylphenyl)methylamino]benzoate
CID 67485130
cyclooctyl-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 9265502
2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
CID 86005665
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
methyl 2-(4-cycloheptylphenyl)acetate
CID 54417181

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The IUPAC name of 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide (CID 44762851) is 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is COc1ccc(CNC(=O)C(=O)c2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
The InChIKey is BUACJSMNLQPAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-26-20-13-7-16(8-14-20)15-23-22(25)21(24)19-11-9-18(10-12-19)17-5-3-2-4-6-17/h7-14,17H,2-6,15H2,1H3,(H,23,25).
What are the key properties of 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide?
2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide has a molecular weight of 351.45 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenyl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide is sourced from PubChem (CID 44762851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).