(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C19H27NO5 — CID 94821314

IUPAC(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](C)OC[C@H]1CCCCO1
InChIInChI=1S/C19H27NO5/c1-3-20(11-15-7-8-17-18(10-15)25-13-24-17)19(21)14(2)23-12-16-6-4-5-9-22-16/h7-8,10,14,16H,3-6,9,11-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyQMFAJMWRHTXUFW-GDBMZVCRSA-N
MW349.43 g/mol
LogP2.74
Rot. Bonds7

About (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 94821314) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID94821314
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESCCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](C)OC[C@H]1CCCCO1
InChIInChI=1S/C19H27NO5/c1-3-20(11-15-7-8-17-18(10-15)25-13-24-17)19(21)14(2)23-12-16-6-4-5-9-22-16/h7-8,10,14,16H,3-6,9,11-13H2,1-2H3/t14-,16-/m1/s1
InChIKeyQMFAJMWRHTXUFW-GDBMZVCRSA-N
XLogP2.74
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48849991
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 95271481
N-benzyl-N-ethyl-2-(oxolan-2-ylmethoxy)propanamide
CID 48846486
2-[benzyl-[2-(oxan-2-ylmethoxy)propanoyl]amino]acetic acid
CID 119196865
N-(1,3-benzodioxol-5-ylmethyl)-2-cyclopentyl-N-ethylacetamide
CID 78801312
N-(1,3-benzodioxol-5-ylmethyl)-2-bromo-N-ethylbutanamide
CID 62854334
N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide
CID 60655471
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-3-(oxolan-2-ylmethoxy)benzamide
CID 43044789
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-[(4-methylphenyl)methyl]oxane-2-carboxamide
CID 99948837
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-N-[[(2R)-oxolan-2-yl]methyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 7437588
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylpiperidine-2-carboxamide
CID 103808191
N-(1,3-benzodioxol-5-ylmethyl)-N-butyloxolane-2-carboxamide
CID 42778185

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 94821314) is (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide is CCN(Cc1ccc2c(c1)OCO2)C(=O)[C@@H](C)OC[C@H]1CCCCO1.
What is the InChIKey of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is QMFAJMWRHTXUFW-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H27NO5/c1-3-20(11-15-7-8-17-18(10-15)25-13-24-17)19(21)14(2)23-12-16-6-4-5-9-22-16/h7-8,10,14,16H,3-6,9,11-13H2,1-2H3/t14-,16-/m1/s1.
What are the key properties of (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 349.43 g/mol, XLogP of 2.74, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94821314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).