N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide

C17H21NO5 — CID 95781316

IUPACN-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NCC1=COCCO1)c1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C17H21NO5/c19-17(18-10-16-11-20-7-8-22-16)13-3-1-4-14(9-13)23-12-15-5-2-6-21-15/h1,3-4,9,11,15H,2,5-8,10,12H2,(H,18,19)/t15-/m1/s1
InChIKeyOBOHJNNBLRAWRQ-OAHLLOKOSA-N
MW319.36 g/mol
LogP1.86
Rot. Bonds6

About N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide

N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide (PubChem CID 95781316) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
PubChem CID95781316
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC NameN-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide
SMILESO=C(NCC1=COCCO1)c1cccc(OC[C@H]2CCCO2)c1
InChIInChI=1S/C17H21NO5/c19-17(18-10-16-11-20-7-8-22-16)13-3-1-4-14(9-13)23-12-15-5-2-6-21-15/h1,3-4,9,11,15H,2,5-8,10,12H2,(H,18,19)/t15-/m1/s1
InChIKeyOBOHJNNBLRAWRQ-OAHLLOKOSA-N
XLogP1.86
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 134023779
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513
3-(oxolan-2-ylmethoxy)-N-(pyridin-3-ylmethyl)benzamide
CID 43044153
3-(oxolan-2-ylmethoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 43044159
N-[2-(cycloheptylamino)ethyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 119619503
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
3-[[(2R)-oxolan-2-yl]methoxy]-N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 94023247
N-(2-amino-2-ethylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 119640288
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The IUPAC name of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide (CID 95781316) is N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The canonical SMILES for N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide is O=C(NCC1=COCCO1)c1cccc(OC[C@H]2CCCO2)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
The InChIKey is OBOHJNNBLRAWRQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21NO5/c19-17(18-10-16-11-20-7-8-22-16)13-3-1-4-14(9-13)23-12-15-5-2-6-21-15/h1,3-4,9,11,15H,2,5-8,10,12H2,(H,18,19)/t15-/m1/s1.
What are the key properties of N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide?
N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide has a molecular weight of 319.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-dioxin-5-ylmethyl)-3-[[(2R)-oxolan-2-yl]methoxy]benzamide is sourced from PubChem (CID 95781316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).