N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide

C15H21NO3 — CID 61435069

IUPACN-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO3/c1-2-16(11-14-7-4-8-19-14)15(18)10-12-5-3-6-13(17)9-12/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3
InChIKeyAJVZETVIKGXXPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.96
Rot. Bonds5

About N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide

N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 61435069) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID61435069
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
SMILESCCN(CC1CCCO1)C(=O)Cc1cccc(O)c1
InChIInChI=1S/C15H21NO3/c1-2-16(11-14-7-4-8-19-14)15(18)10-12-5-3-6-13(17)9-12/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3
InChIKeyAJVZETVIKGXXPY-UHFFFAOYSA-N
XLogP1.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-ethyl-2-(3-hydroxyphenyl)acetamide
CID 61399892
2-(3-fluorophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 110733180
N-[[4-(dimethylamino)phenyl]methyl]-2-(4-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 78806114
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
2-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 62498545
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-ethyl-N-[[(2S)-oxolan-2-yl]methyl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 42393532
N-ethyl-N-(oxolan-2-ylmethyl)-3-sulfanylpropanamide
CID 107024574
2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(3-methylphenyl)methyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 124843014
3-[[1,3-benzodioxol-5-ylmethyl(oxolan-2-ylmethyl)amino]methyl]phenol
CID 43818588
2-(5-amino-2-pyridinyl)-N-ethyl-N-(oxolan-2-ylmethyl)acetamide;hydrochloride
CID 120625769
N-ethyl-N-(oxolan-2-ylmethyl)-2-pyrazolo[1,5-a]pyridin-3-ylacetamide
CID 166239856

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide (CID 61435069) is N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is CCN(CC1CCCO1)C(=O)Cc1cccc(O)c1.
What is the InChIKey of N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is AJVZETVIKGXXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16(11-14-7-4-8-19-14)15(18)10-12-5-3-6-13(17)9-12/h3,5-6,9,14,17H,2,4,7-8,10-11H2,1H3.
What are the key properties of N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide?
N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 263.34 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(3-hydroxyphenyl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 61435069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).