3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide

C15H22N2O3 — CID 63741794

IUPAC3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCC1CCCOC1
InChIInChI=1S/C15H22N2O3/c16-15(18)7-9-20-14-6-2-1-5-13(14)17-10-12-4-3-8-19-11-12/h1-2,5-6,12,17H,3-4,7-11H2,(H2,16,18)
InChIKeyZRFGDRCVESSRQJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.78
Rot. Bonds7

About 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide

3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide (PubChem CID 63741794) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide.

Molecular Properties

Compound Name3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
PubChem CID63741794
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide
SMILESNC(=O)CCOc1ccccc1NCC1CCCOC1
InChIInChI=1S/C15H22N2O3/c16-15(18)7-9-20-14-6-2-1-5-13(14)17-10-12-4-3-8-19-11-12/h1-2,5-6,12,17H,3-4,7-11H2,(H2,16,18)
InChIKeyZRFGDRCVESSRQJ-UHFFFAOYSA-N
XLogP1.78
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63740369
3-[2-(thiolan-3-ylmethylamino)phenoxy]propanamide
CID 107131685
3-[2-[(2,6-dimethylcyclohexyl)amino]phenoxy]propanamide
CID 43729752
1-[2-(oxan-3-ylmethylamino)phenyl]ethanol
CID 63739863
2-[4-(oxan-3-ylmethylamino)phenyl]acetamide
CID 63739848
3-[2-(1-cyclopropylpropan-2-ylamino)phenoxy]propanamide
CID 115929140
3-[2-(1-cyclopropylethylamino)phenoxy]propanamide
CID 43729791
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-(oxan-3-ylmethyl)-2-propylaniline
CID 63737543
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
N,2-dimethyl-3-(oxan-3-ylmethylamino)benzamide
CID 63740558
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
CID 63739677

Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide?
The IUPAC name of 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide (CID 63741794) is 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide.
What is the SMILES notation for 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide?
The canonical SMILES for 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide is NC(=O)CCOc1ccccc1NCC1CCCOC1.
What is the InChIKey of 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide?
The InChIKey is ZRFGDRCVESSRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c16-15(18)7-9-20-14-6-2-1-5-13(14)17-10-12-4-3-8-19-11-12/h1-2,5-6,12,17H,3-4,7-11H2,(H2,16,18).
What are the key properties of 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide?
3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-3-ylmethylamino)phenoxy]propanamide is sourced from PubChem (CID 63741794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).