4-[1-(oxolan-3-yloxy)ethyl]benzamide

C13H17NO3 — CID 154052713

IUPAC4-[1-(oxolan-3-yloxy)ethyl]benzamide
SMILESCC(OC1CCOC1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17NO3/c1-9(17-12-6-7-16-8-12)10-2-4-11(5-3-10)13(14)15/h2-5,9,12H,6-8H2,1H3,(H2,14,15)
InChIKeyNAZSDWFZNVFUBL-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.65
Rot. Bonds4

About 4-[1-(oxolan-3-yloxy)ethyl]benzamide

4-[1-(oxolan-3-yloxy)ethyl]benzamide (PubChem CID 154052713) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-[1-(oxolan-3-yloxy)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(oxolan-3-yloxy)ethyl]benzamide
PubChem CID154052713
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-[1-(oxolan-3-yloxy)ethyl]benzamide
SMILESCC(OC1CCOC1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H17NO3/c1-9(17-12-6-7-16-8-12)10-2-4-11(5-3-10)13(14)15/h2-5,9,12H,6-8H2,1H3,(H2,14,15)
InChIKeyNAZSDWFZNVFUBL-UHFFFAOYSA-N
XLogP1.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(oxolan-3-yloxy)ethyl]furan-2-carboxylic acid
CID 79083632
4-[1-(oxetan-3-yloxy)ethyl]aniline
CID 102605660
methyl (2R)-2-(oxolan-3-yloxy)propanoate
CID 103338002
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
oxolan-3-yl 4-aminobenzoate
CID 63558656
4-methoxy-3-[1-(oxolan-3-yl)ethylamino]benzamide
CID 115928742
[(3S)-oxolan-3-yl] (2S)-2-bromopropanoate
CID 11470107
4-(1-hydroxyethyl)benzamide
CID 22716490
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
N-[4-(aminomethyl)phenyl]-2-(oxolan-3-yloxy)propanamide
CID 63557624
oxolan-3-yl 3-methyl-4-propan-2-ylbenzoate
CID 130428223

Frequently Asked Questions

What is the IUPAC name of 4-[1-(oxolan-3-yloxy)ethyl]benzamide?
The IUPAC name of 4-[1-(oxolan-3-yloxy)ethyl]benzamide (CID 154052713) is 4-[1-(oxolan-3-yloxy)ethyl]benzamide.
What is the SMILES notation for 4-[1-(oxolan-3-yloxy)ethyl]benzamide?
The canonical SMILES for 4-[1-(oxolan-3-yloxy)ethyl]benzamide is CC(OC1CCOC1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-(oxolan-3-yloxy)ethyl]benzamide?
The InChIKey is NAZSDWFZNVFUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(17-12-6-7-16-8-12)10-2-4-11(5-3-10)13(14)15/h2-5,9,12H,6-8H2,1H3,(H2,14,15).
What are the key properties of 4-[1-(oxolan-3-yloxy)ethyl]benzamide?
4-[1-(oxolan-3-yloxy)ethyl]benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(oxolan-3-yloxy)ethyl]benzamide is sourced from PubChem (CID 154052713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).