(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C16H15NO4 — CID 139348002

IUPAC(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)[C@H]1COc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C16H15NO4/c17-16(18)15-10-20-13-7-6-12(8-14(13)21-15)19-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,17,18)/t15-/m1/s1
InChIKeySSKGEJDGCDZEOI-OAHLLOKOSA-N
MW285.30 g/mol
LogP1.89
Rot. Bonds4

About (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide

(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 139348002) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound Name(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID139348002
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESNC(=O)[C@H]1COc2ccc(OCc3ccccc3)cc2O1
InChIInChI=1S/C16H15NO4/c17-16(18)15-10-20-13-7-6-12(8-14(13)21-15)19-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,17,18)/t15-/m1/s1
InChIKeySSKGEJDGCDZEOI-OAHLLOKOSA-N
XLogP1.89
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-phenylmethoxy-N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362389
N-[(2-fluoro-4-pyridinyl)methyl]-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 139362396
3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylpropanamide
CID 156622032
N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]oxane-4-carboxamide
CID 139362356
methyl (2S)-6-phenylmethoxy-2,3-dihydro-1-benzofuran-2-carboxylate
CID 101035313
1-(oxan-4-yl)-N-[[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]methanamine
CID 139348013
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]propanamide
CID 156622031
N-[[3-(phenoxymethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 55904380
[3-[[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]oxymethyl]phenyl]methyl (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 2107092
3-bromo-6-phenylmethoxy-2,3-dihydrochromen-4-one
CID 19600716
(3R,4S)-4-phenyl-7-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544352
1-morpholin-3-yl-2-[(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxin-3-yl]ethanamine
CID 139351637

Frequently Asked Questions

What is the IUPAC name of (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 139348002) is (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide is NC(=O)[C@H]1COc2ccc(OCc3ccccc3)cc2O1.
What is the InChIKey of (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is SSKGEJDGCDZEOI-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H15NO4/c17-16(18)15-10-20-13-7-6-12(8-14(13)21-15)19-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2,(H2,17,18)/t15-/m1/s1.
What are the key properties of (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
(3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 285.30 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6-phenylmethoxy-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 139348002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).