(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide

C17H25NO3 — CID 99704166

IUPAC(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide
SMILESC[C@@](CO)(NC(=O)[C@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO3/c1-17(12-19,14-10-6-3-7-11-14)18-16(21)15(20)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,19-20H,3,6-7,10-12H2,1H3,(H,18,21)/t15-,17+/m1/s1
InChIKeyBIGHGWWGWAECNP-WBVHZDCISA-N
MW291.39 g/mol
LogP2.17
Rot. Bonds5

About (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide

(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 99704166) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide
PubChem CID99704166
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide
SMILESC[C@@](CO)(NC(=O)[C@H](O)c1ccccc1)C1CCCCC1
InChIInChI=1S/C17H25NO3/c1-17(12-19,14-10-6-3-7-11-14)18-16(21)15(20)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,19-20H,3,6-7,10-12H2,1H3,(H,18,21)/t15-,17+/m1/s1
InChIKeyBIGHGWWGWAECNP-WBVHZDCISA-N
XLogP2.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide (CID 99704166) is (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide is C[C@@](CO)(NC(=O)[C@H](O)c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is BIGHGWWGWAECNP-WBVHZDCISA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(12-19,14-10-6-3-7-11-14)18-16(21)15(20)13-8-4-2-5-9-13/h2,4-5,8-9,14-15,19-20H,3,6-7,10-12H2,1H3,(H,18,21)/t15-,17+/m1/s1.
What are the key properties of (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide?
(2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 291.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R)-2-cyclohexyl-1-hydroxypropan-2-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 99704166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).