N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide

C21H25NO2 — CID 7478838

IUPACN-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-9-5-7-13-19(16)22-21(23)15-24-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,22,23)/t16-,19+/m1/s1
InChIKeyNVIVHVYLYCEBOP-APWZRJJASA-N
MW323.44 g/mol
LogP4.43
Rot. Bonds5

About N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide

N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide (PubChem CID 7478838) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
PubChem CID7478838
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC NameN-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1ccccc1
InChIInChI=1S/C21H25NO2/c1-16-9-5-7-13-19(16)22-21(23)15-24-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,22,23)/t16-,19+/m1/s1
InChIKeyNVIVHVYLYCEBOP-APWZRJJASA-N
XLogP4.43
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(1S,2R)-2-methylcyclohexyl]-2-naphthalen-1-yloxyacetamide
CID 2504510
N-(2-methylpiperidin-3-yl)-2-(2-phenylphenoxy)acetamide;hydrochloride
CID 120577924
2-[2-(methylaminomethyl)phenoxy]-N-(2-methylcyclohexyl)acetamide
CID 106484685
2-(2,3-dichlorophenoxy)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 7787741
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435735
[2-[[(1S,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2435738
N-[(1S,2S)-2-methylcyclohexyl]-2-naphthalen-2-yloxyacetamide
CID 2517702
N'-acetyl-2-(2-phenylphenoxy)acetohydrazide
CID 922584
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] benzoate
CID 2516908
N-(2-methylcyclohexyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 4578815
N'-[2-(2-phenylphenoxy)acetyl]cyclohexanecarbohydrazide
CID 3465565

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide (CID 7478838) is N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide is C[C@@H]1CCCC[C@@H]1NC(=O)COc1ccccc1-c1ccccc1.
What is the InChIKey of N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide?
The InChIKey is NVIVHVYLYCEBOP-APWZRJJASA-N. The full InChI is InChI=1S/C21H25NO2/c1-16-9-5-7-13-19(16)22-21(23)15-24-20-14-8-6-12-18(20)17-10-3-2-4-11-17/h2-4,6,8,10-12,14,16,19H,5,7,9,13,15H2,1H3,(H,22,23)/t16-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide?
N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide has a molecular weight of 323.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-methylcyclohexyl]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 7478838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).