cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate

C17H25NO3 — CID 110183811

IUPACcyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
SMILESCC(NCC(=O)OC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-13(17(20)14-8-4-2-5-9-14)18-12-16(19)21-15-10-6-3-7-11-15/h2,4-5,8-9,13,15,17-18,20H,3,6-7,10-12H2,1H3
InChIKeyYATQLIZBRREPOU-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.57
Rot. Bonds6

About cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate

cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate (PubChem CID 110183811) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate.

Molecular Properties

Compound Namecyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
PubChem CID110183811
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namecyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate
SMILESCC(NCC(=O)OC1CCCCC1)C(O)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-13(17(20)14-8-4-2-5-9-14)18-12-16(19)21-15-10-6-3-7-11-15/h2,4-5,8-9,13,15,17-18,20H,3,6-7,10-12H2,1H3
InChIKeyYATQLIZBRREPOU-UHFFFAOYSA-N
XLogP2.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 61303915
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(2S)-2-(cyclohexylamino)-1-phenylpropan-1-ol
CID 134503072
(2S)-2-(cycloheptylamino)-1-phenylpropan-1-ol
CID 149151230
(1S,2S)-2-(cyclooctylamino)-1-phenylpropan-1-ol
CID 95510992
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cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
cyclohexyl 2-phenylacetate;methyl 2-phenylacetate
CID 5314269
dicyclohexyl 2-phenylpropanedioate
CID 130210180
cyclohexyl (2R,3R)-3-hydroxy-3-phenyl-2-(phenylsulfanylmethyl)propanoate
CID 100941161

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate?
The IUPAC name of cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate (CID 110183811) is cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate.
What is the SMILES notation for cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate?
The canonical SMILES for cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate is CC(NCC(=O)OC1CCCCC1)C(O)c1ccccc1.
What is the InChIKey of cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate?
The InChIKey is YATQLIZBRREPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(17(20)14-8-4-2-5-9-14)18-12-16(19)21-15-10-6-3-7-11-15/h2,4-5,8-9,13,15,17-18,20H,3,6-7,10-12H2,1H3.
What are the key properties of cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate?
cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate has a molecular weight of 291.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-[(1-hydroxy-1-phenylpropan-2-yl)amino]acetate is sourced from PubChem (CID 110183811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).