N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide

C17H25NO3 — CID 100597841

IUPACN-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
SMILESC[C@@H]1CCC[C@@H](OCC(=O)Nc2ccccc2[C@H](C)O)C1
InChIInChI=1S/C17H25NO3/c1-12-6-5-7-14(10-12)21-11-17(20)18-16-9-4-3-8-15(16)13(2)19/h3-4,8-9,12-14,19H,5-7,10-11H2,1-2H3,(H,18,20)/t12-,13+,14-/m1/s1
InChIKeyIAIZNQCABFGLFV-HZSPNIEDSA-N
MW291.39 g/mol
LogP3.27
Rot. Bonds5

About N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide

N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide (PubChem CID 100597841) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide.

Molecular Properties

Compound NameN-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
PubChem CID100597841
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide
SMILESC[C@@H]1CCC[C@@H](OCC(=O)Nc2ccccc2[C@H](C)O)C1
InChIInChI=1S/C17H25NO3/c1-12-6-5-7-14(10-12)21-11-17(20)18-16-9-4-3-8-15(16)13(2)19/h3-4,8-9,12-14,19H,5-7,10-11H2,1-2H3,(H,18,20)/t12-,13+,14-/m1/s1
InChIKeyIAIZNQCABFGLFV-HZSPNIEDSA-N
XLogP3.27
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(3-methylcyclohexyl)oxyacetamide
CID 111450960
N-[3-(hydroxymethyl)phenyl]-2-[(1S,3R)-3-methylcyclohexyl]oxyacetamide
CID 97249076
2-(3-methylcyclohexyl)oxy-N-(2-phenoxypropyl)acetamide
CID 86948525
2-piperidin-4-yloxy-N-(2-propan-2-ylphenyl)acetamide
CID 63877390
(2R)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 98764146
(2S)-2-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]-3-phenylpropanamide
CID 95624769
2-cyclohexyloxy-N-(2-hydroxyphenyl)acetamide
CID 47246242
1-(3-methylcyclohexyl)-3-(2-propan-2-ylphenyl)urea
CID 47032083
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776417
N-(2-acetylphenyl)-2-cyclohexyloxyacetamide
CID 47242389
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methylcyclohexyl)oxyacetamide
CID 86941565

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide?
The IUPAC name of N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide (CID 100597841) is N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide.
What is the SMILES notation for N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide?
The canonical SMILES for N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide is C[C@@H]1CCC[C@@H](OCC(=O)Nc2ccccc2[C@H](C)O)C1.
What is the InChIKey of N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide?
The InChIKey is IAIZNQCABFGLFV-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-6-5-7-14(10-12)21-11-17(20)18-16-9-4-3-8-15(16)13(2)19/h3-4,8-9,12-14,19H,5-7,10-11H2,1-2H3,(H,18,20)/t12-,13+,14-/m1/s1.
What are the key properties of N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide?
N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide has a molecular weight of 291.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1S)-1-hydroxyethyl]phenyl]-2-[(1R,3R)-3-methylcyclohexyl]oxyacetamide is sourced from PubChem (CID 100597841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).