3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide

C17H25NO3 — CID 103279864

IUPAC3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESCc1cccc(C)c1OCCC(=O)NCC1CCC(O)C1
InChIInChI=1S/C17H25NO3/c1-12-4-3-5-13(2)17(12)21-9-8-16(20)18-11-14-6-7-15(19)10-14/h3-5,14-15,19H,6-11H2,1-2H3,(H,18,20)
InChIKeyOQLMDLLHYJSDFM-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.35
Rot. Bonds6

About 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide

3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide (PubChem CID 103279864) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
PubChem CID103279864
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide
SMILESCc1cccc(C)c1OCCC(=O)NCC1CCC(O)C1
InChIInChI=1S/C17H25NO3/c1-12-4-3-5-13(2)17(12)21-9-8-16(20)18-11-14-6-7-15(19)10-14/h3-5,14-15,19H,6-11H2,1-2H3,(H,18,20)
InChIKeyOQLMDLLHYJSDFM-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide (CID 103279864) is 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide is Cc1cccc(C)c1OCCC(=O)NCC1CCC(O)C1.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is OQLMDLLHYJSDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-12-4-3-5-13(2)17(12)21-9-8-16(20)18-11-14-6-7-15(19)10-14/h3-5,14-15,19H,6-11H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide?
3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 291.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-[(3-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 103279864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).