2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide

C25H34N2O2 — CID 19630470

IUPAC2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-27(4-2)18-20-10-14-23(15-11-20)26-25(28)19-29-24-16-12-22(13-17-24)21-8-6-5-7-9-21/h10-17,21H,3-9,18-19H2,1-2H3,(H,26,28)
InChIKeyLVYYXUCZWFFGMP-UHFFFAOYSA-N
MW394.56 g/mol
LogP5.59
Rot. Bonds9

About 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide

2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide (PubChem CID 19630470) has the molecular formula C25H34N2O2 and a molecular weight of 394.56 g/mol. Its IUPAC name is 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
PubChem CID19630470
Molecular FormulaC25H34N2O2
Molecular Weight394.56 g/mol
Exact Mass394.26
IUPAC Name2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide
SMILESCCN(CC)Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C25H34N2O2/c1-3-27(4-2)18-20-10-14-23(15-11-20)26-25(28)19-29-24-16-12-22(13-17-24)21-8-6-5-7-9-21/h10-17,21H,3-9,18-19H2,1-2H3,(H,26,28)
InChIKeyLVYYXUCZWFFGMP-UHFFFAOYSA-N
XLogP5.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(diethylaminomethyl)phenyl]-2-phenoxyacetamide
CID 959344
4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 17172239
2-(4-cyclohexylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7441969
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
2-(4-cyclohexylphenoxy)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide
CID 7106089
2-chloro-4-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid
CID 28677426
N-cyclohexyl-4-[[2-(4-ethylphenoxy)acetyl]amino]benzamide
CID 28587696
2-(4-cyclohexylphenoxy)-N-(2-ethyltetrazol-5-yl)acetamide
CID 953175
N-[(4-cyclooctylphenyl)methyl]-2-[4-(hydroxymethyl)phenoxy]acetamide
CID 142212171
2-(4-cyclohexylphenoxy)-N-[2-(4-fluorophenyl)benzotriazol-5-yl]acetamide
CID 17111035
N-[(4-cyclohexylphenyl)carbamothioyl]-2-phenoxyacetamide
CID 21041842
2-(4-cyclohexylphenoxy)-N-[4-[5-(hydroxymethyl)furan-2-yl]-3-methylphenyl]acetamide
CID 28677469

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide?
The IUPAC name of 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide (CID 19630470) is 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide is CCN(CC)Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide?
The InChIKey is LVYYXUCZWFFGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O2/c1-3-27(4-2)18-20-10-14-23(15-11-20)26-25(28)19-29-24-16-12-22(13-17-24)21-8-6-5-7-9-21/h10-17,21H,3-9,18-19H2,1-2H3,(H,26,28).
What are the key properties of 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide?
2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide has a molecular weight of 394.56 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylphenoxy)-N-[4-(diethylaminomethyl)phenyl]acetamide is sourced from PubChem (CID 19630470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).