N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide

C20H23NO4 — CID 91767554

IUPACN-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-23-19-11-12-24-14-17(19)21-20(22)16-9-5-6-10-18(16)25-13-15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3,(H,21,22)/t17-,19-/m1/s1
InChIKeyUTUFCVGHSLVNIO-IEBWSBKVSA-N
MW341.41 g/mol
LogP2.80
Rot. Bonds6

About N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide

N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide (PubChem CID 91767554) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
PubChem CID91767554
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide
SMILESCO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1OCc1ccccc1
InChIInChI=1S/C20H23NO4/c1-23-19-11-12-24-14-17(19)21-20(22)16-9-5-6-10-18(16)25-13-15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3,(H,21,22)/t17-,19-/m1/s1
InChIKeyUTUFCVGHSLVNIO-IEBWSBKVSA-N
XLogP2.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyoxan-3-yl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
CID 156609682
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
1,3-dimethyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-4-carboxamide
CID 91776232
4-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]benzene-1,4-dicarboxamide
CID 91781998
2,4-dimethoxy-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91773629
5-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1H-imidazole-2-carboxamide
CID 91776631
N-[(3R,4R)-4-methoxyoxan-3-yl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 136587643
2-methyl-N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]pyrazole-3-carboxamide
CID 91777487
2-[(3R,4S)-3-[(2,3-dimethoxybenzoyl)amino]oxan-4-yl]oxyacetic acid
CID 91780909
5-methoxy-4-oxo-N-(4-phenylmethoxyoxan-3-yl)-1H-pyridine-2-carboxamide
CID 156609001
N-[(3R,4S)-4-phenylmethoxyoxan-3-yl]-1,2-oxazole-3-carboxamide
CID 91797210
2-(3-fluorophenyl)-N-[(3R,4R)-4-methoxyoxan-3-yl]acetamide
CID 91787465

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide?
The IUPAC name of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide (CID 91767554) is N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide.
What is the SMILES notation for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide?
The canonical SMILES for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide is CO[C@@H]1CCOC[C@H]1NC(=O)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide?
The InChIKey is UTUFCVGHSLVNIO-IEBWSBKVSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-19-11-12-24-14-17(19)21-20(22)16-9-5-6-10-18(16)25-13-15-7-3-2-4-8-15/h2-10,17,19H,11-14H2,1H3,(H,21,22)/t17-,19-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide?
N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide has a molecular weight of 341.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methoxyoxan-3-yl]-2-phenylmethoxybenzamide is sourced from PubChem (CID 91767554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).