2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide

C21H25NO3 — CID 91760467

IUPAC2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
SMILESCc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-16-7-5-6-10-18(16)13-21(23)22-19-11-12-24-15-20(19)25-14-17-8-3-2-4-9-17/h2-10,19-20H,11-15H2,1H3,(H,22,23)/t19-,20-/m1/s1
InChIKeyHJRUCOQQCUBZDT-WOJBJXKFSA-N
MW339.44 g/mol
LogP3.03
Rot. Bonds6

About 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide

2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide (PubChem CID 91760467) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
PubChem CID91760467
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
SMILESCc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-16-7-5-6-10-18(16)13-21(23)22-19-11-12-24-15-20(19)25-14-17-8-3-2-4-9-17/h2-10,19-20H,11-15H2,1H3,(H,22,23)/t19-,20-/m1/s1
InChIKeyHJRUCOQQCUBZDT-WOJBJXKFSA-N
XLogP3.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
2-[(3S,4R)-4-[3-(2-methylphenyl)propanoylamino]oxan-3-yl]oxyacetic acid
CID 91784519
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648
4-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]piperazine-1-carboxamide
CID 91785748
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
CID 133268380
4-(hydroxymethyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]benzamide
CID 91795848
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
The IUPAC name of 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide (CID 91760467) is 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
The canonical SMILES for 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide is Cc1ccccc1CC(=O)N[C@@H]1CCOC[C@H]1OCc1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
The InChIKey is HJRUCOQQCUBZDT-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-7-5-6-10-18(16)13-21(23)22-19-11-12-24-15-20(19)25-14-17-8-3-2-4-9-17/h2-10,19-20H,11-15H2,1H3,(H,22,23)/t19-,20-/m1/s1.
What are the key properties of 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide?
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide has a molecular weight of 339.44 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide is sourced from PubChem (CID 91760467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).