N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide

C13H17NO3 — CID 63294026

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(O)C1CC1
InChIInChI=1S/C13H17NO3/c15-12(10-6-7-10)8-14-13(16)9-17-11-4-2-1-3-5-11/h1-5,10,12,15H,6-9H2,(H,14,16)
InChIKeyGYJOWRQELAPSQR-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.95
Rot. Bonds6

About N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide (PubChem CID 63294026) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
PubChem CID63294026
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NCC(O)C1CC1
InChIInChI=1S/C13H17NO3/c15-12(10-6-7-10)8-14-13(16)9-17-11-4-2-1-3-5-11/h1-5,10,12,15H,6-9H2,(H,14,16)
InChIKeyGYJOWRQELAPSQR-UHFFFAOYSA-N
XLogP0.95
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 63299007
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-methylphenoxy)acetamide
CID 90498772
N-(2-cyclohexyl-2-hydroxyethyl)-2-(4-fluorophenoxy)acetamide
CID 90498778
N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-2-(3-methoxyphenoxy)acetamide
CID 95983036
N-(1-cyclopropylethyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 47117041
N-(3-hydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 65032139
N-[(S)-cyclopropyl(phenyl)methyl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 38217020
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-fluorophenoxy)acetamide
CID 90498777
N-(2-ethylbutyl)-2-phenoxyacetamide
CID 115612512
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
1-cyclopropyl-2-(3-phenoxypropylamino)ethanol
CID 55172175
N-(2-cyclopropyl-2-hydroxyethyl)-3-(3-methoxyphenyl)propanamide
CID 63294459

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide (CID 63294026) is N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide is O=C(COc1ccccc1)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide?
The InChIKey is GYJOWRQELAPSQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-12(10-6-7-10)8-14-13(16)9-17-11-4-2-1-3-5-11/h1-5,10,12,15H,6-9H2,(H,14,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide has a molecular weight of 235.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenoxyacetamide is sourced from PubChem (CID 63294026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).