N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide

C21H25NO2 — CID 2547685

IUPACN-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)NCC1CCCCC1
InChIInChI=1S/C21H25NO2/c23-21(22-15-17-9-3-1-4-10-17)16-24-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,22,23)
InChIKeyGRBWIIHMDCGVBM-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.43
Rot. Bonds6

About N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide

N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide (PubChem CID 2547685) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide
PubChem CID2547685
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)NCC1CCCCC1
InChIInChI=1S/C21H25NO2/c23-21(22-15-17-9-3-1-4-10-17)16-24-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,22,23)
InChIKeyGRBWIIHMDCGVBM-UHFFFAOYSA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide (CID 2547685) is N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide is O=C(COc1ccccc1-c1ccccc1)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide?
The InChIKey is GRBWIIHMDCGVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2/c23-21(22-15-17-9-3-1-4-10-17)16-24-20-14-8-7-13-19(20)18-11-5-2-6-12-18/h2,5-8,11-14,17H,1,3-4,9-10,15-16H2,(H,22,23).
What are the key properties of N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide?
N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 2547685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).