2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide

C17H25NO2 — CID 95397472

IUPAC2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
SMILESCCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO2/c1-3-13-8-10-14(11-9-13)12-17(20)18(2)15-6-4-5-7-16(15)19/h8-11,15-16,19H,3-7,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyGNEJJRLRPWASPW-CVEARBPZSA-N
MW275.39 g/mol
LogP2.55
Rot. Bonds4

About 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide

2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide (PubChem CID 95397472) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
PubChem CID95397472
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
SMILESCCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1
InChIInChI=1S/C17H25NO2/c1-3-13-8-10-14(11-9-13)12-17(20)18(2)15-6-4-5-7-16(15)19/h8-11,15-16,19H,3-7,12H2,1-2H3/t15-,16+/m1/s1
InChIKeyGNEJJRLRPWASPW-CVEARBPZSA-N
XLogP2.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
The IUPAC name of 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide (CID 95397472) is 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
The canonical SMILES for 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide is CCc1ccc(CC(=O)N(C)[C@@H]2CCCC[C@@H]2O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
The InChIKey is GNEJJRLRPWASPW-CVEARBPZSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-13-8-10-14(11-9-13)12-17(20)18(2)15-6-4-5-7-16(15)19/h8-11,15-16,19H,3-7,12H2,1-2H3/t15-,16+/m1/s1.
What are the key properties of 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide?
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide has a molecular weight of 275.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide is sourced from PubChem (CID 95397472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).