2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide

C15H22N2O3 — CID 115655301

IUPAC2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide
SMILESCC(NCc1ccc(OCC(N)=O)cc1)C1CCOC1
InChIInChI=1S/C15H22N2O3/c1-11(13-6-7-19-9-13)17-8-12-2-4-14(5-3-12)20-10-15(16)18/h2-5,11,13,17H,6-10H2,1H3,(H2,16,18)
InChIKeyVPDVKFDXLFZRDJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.07
Rot. Bonds7

About 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide

2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide (PubChem CID 115655301) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide
PubChem CID115655301
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide
SMILESCC(NCc1ccc(OCC(N)=O)cc1)C1CCOC1
InChIInChI=1S/C15H22N2O3/c1-11(13-6-7-19-9-13)17-8-12-2-4-14(5-3-12)20-10-15(16)18/h2-5,11,13,17H,6-10H2,1H3,(H2,16,18)
InChIKeyVPDVKFDXLFZRDJ-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
N-[(4-chlorophenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655135
4-[[1-(oxan-4-yl)ethylamino]methyl]benzamide
CID 103768922
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[2-[1-(oxolan-3-yl)ethylamino]ethoxy]acetamide
CID 106235023
2-[4-[(octan-4-ylamino)methyl]phenoxy]acetamide
CID 103729306
(3R)-3-[[2-(4-ethylphenoxy)acetyl]amino]-3-(oxan-4-yl)propanamide
CID 95787110
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111
1-[(4-cyclopentyloxyphenyl)methyl]-3-[(1S)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 125130781
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
2-[4-[(heptan-2-ylamino)methyl]phenoxy]acetamide
CID 43401602
2-[4-[(1-pyridin-4-ylethylamino)methyl]phenoxy]acetamide
CID 43181000

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide (CID 115655301) is 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide is CC(NCc1ccc(OCC(N)=O)cc1)C1CCOC1.
What is the InChIKey of 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide?
The InChIKey is VPDVKFDXLFZRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(13-6-7-19-9-13)17-8-12-2-4-14(5-3-12)20-10-15(16)18/h2-5,11,13,17H,6-10H2,1H3,(H2,16,18).
What are the key properties of 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide?
2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide has a molecular weight of 278.35 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(oxolan-3-yl)ethylamino]methyl]phenoxy]acetamide is sourced from PubChem (CID 115655301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).