2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide

C15H21NO4 — CID 91795555

IUPAC2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide
SMILESCCOc1ccc(CC(=O)N(C)[C@H]2COC[C@@H]2O)cc1
InChIInChI=1S/C15H21NO4/c1-3-20-12-6-4-11(5-7-12)8-15(18)16(2)13-9-19-10-14(13)17/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyCFKQCBPJFRYVCS-KBPBESRZSA-N
MW279.34 g/mol
LogP0.85
Rot. Bonds5

About 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide

2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide (PubChem CID 91795555) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide
PubChem CID91795555
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide
SMILESCCOc1ccc(CC(=O)N(C)[C@H]2COC[C@@H]2O)cc1
InChIInChI=1S/C15H21NO4/c1-3-20-12-6-4-11(5-7-12)8-15(18)16(2)13-9-19-10-14(13)17/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyCFKQCBPJFRYVCS-KBPBESRZSA-N
XLogP0.85
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(4-methoxyphenyl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66238179
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 155996372
2-(4-ethoxyphenyl)-N-(2-hydroxyethyl)-N-methylacetamide
CID 60652463
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 155983827
2-(4-ethylphenyl)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methylacetamide
CID 95397472
N-[(3R,4S,5R)-4,5-dimethoxyoxan-3-yl]-N-methyl-2-pyridin-4-ylacetamide
CID 155996501
N-(3,4-dihydro-1H-isochromen-3-ylmethyl)-2-(4-ethoxyphenyl)-N-methylacetamide
CID 90635698
2-[4-(4-ethoxyphenyl)phenyl]acetic acid
CID 1394503
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
CID 110746558
N-[2-(dimethylamino)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 110757113
2-(4-ethoxyphenyl)-1-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346671

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide (CID 91795555) is 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide is CCOc1ccc(CC(=O)N(C)[C@H]2COC[C@@H]2O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide?
The InChIKey is CFKQCBPJFRYVCS-KBPBESRZSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-20-12-6-4-11(5-7-12)8-15(18)16(2)13-9-19-10-14(13)17/h4-7,13-14,17H,3,8-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide?
2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide has a molecular weight of 279.34 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(3S,4R)-4-hydroxyoxolan-3-yl]-N-methylacetamide is sourced from PubChem (CID 91795555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).