(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C14H17NO4 — CID 92662175

IUPAC(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C14H17NO4/c16-14(15-8-10-4-3-7-17-10)13-9-18-11-5-1-2-6-12(11)19-13/h1-2,5-6,10,13H,3-4,7-9H2,(H,15,16)/t10-,13-/m1/s1
InChIKeyLSHAXPWFERGESH-ZWNOBZJWSA-N
MW263.29 g/mol
LogP1.12
Rot. Bonds3

About (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 92662175) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID92662175
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)[C@H]1COc2ccccc2O1
InChIInChI=1S/C14H17NO4/c16-14(15-8-10-4-3-7-17-10)13-9-18-11-5-1-2-6-12(11)19-13/h1-2,5-6,10,13H,3-4,7-9H2,(H,15,16)/t10-,13-/m1/s1
InChIKeyLSHAXPWFERGESH-ZWNOBZJWSA-N
XLogP1.12
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(chloromethyl)cyclopentyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 114306810
(3S)-N-[[(3S)-1,4-dioxaspiro[4.5]decan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51895158
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
3-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-[(2-hydroxyphenyl)methyl]-1-(oxolan-2-ylmethyl)urea
CID 55770012
N-[2-(cyclopropylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 62664381
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 38211752
(3S)-N-prop-2-enyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7000193
(3R)-N-cycloheptyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2176720
(3R)-N-cyclooctyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2397752
1-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94026794
N-(2-cyclopentylsulfanylethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 133161839
methyl (2R)-4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]-2,3-dihydro-1,4-benzoxazine-2-carboxylate
CID 8655507

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 92662175) is (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is O=C(NC[C@H]1CCCO1)[C@H]1COc2ccccc2O1.
What is the InChIKey of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is LSHAXPWFERGESH-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H17NO4/c16-14(15-8-10-4-3-7-17-10)13-9-18-11-5-1-2-6-12(11)19-13/h1-2,5-6,10,13H,3-4,7-9H2,(H,15,16)/t10-,13-/m1/s1.
What are the key properties of (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[(2R)-oxolan-2-yl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 92662175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).