[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate

C17H23NO3 — CID 55319435

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H23NO3/c19-16(18-12-15-9-5-2-6-10-15)13-21-17(20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19)
InChIKeyVGAMTQHUEJLMET-UHFFFAOYSA-N
MW289.37 g/mol
LogP2.47
Rot. Bonds6

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate (PubChem CID 55319435) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
PubChem CID55319435
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate
SMILESO=C(COC(=O)Cc1ccccc1)NCC1CCCCC1
InChIInChI=1S/C17H23NO3/c19-16(18-12-15-9-5-2-6-10-15)13-21-17(20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19)
InChIKeyVGAMTQHUEJLMET-UHFFFAOYSA-N
XLogP2.47
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
[2-(cyclohexylmethylamino)-2-oxoethyl] 3-phenylsulfanylpropanoate
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CID 7251515
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8588218
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-naphthalen-2-yloxyacetate
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2-(4-aminophenyl)-N-(cyclopentylmethyl)acetamide
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N-[(4-chlorocyclohexyl)methyl]-2-phenylacetamide
CID 114147876
[2-(cyclohexylmethylamino)-2-oxoethyl] 1-benzyltriazole-4-carboxylate
CID 55516705
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
2-phenylethyl N-(cyclopentylmethyl)carbamate
CID 57081280
2-(2-aminophenoxy)-N-(cyclohexylmethyl)acetamide
CID 43371365
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate (CID 55319435) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate is O=C(COC(=O)Cc1ccccc1)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate?
The InChIKey is VGAMTQHUEJLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(18-12-15-9-5-2-6-10-15)13-21-17(20)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,18,19).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate has a molecular weight of 289.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-phenylacetate is sourced from PubChem (CID 55319435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).