N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide

C20H23NO3 — CID 91781332

IUPACN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(Cc2ccccc2C(=O)N[C@@H]2COCC[C@H]2O)cc1
InChIInChI=1S/C20H23NO3/c1-14-6-8-15(9-7-14)12-16-4-2-3-5-17(16)20(23)21-18-13-24-11-10-19(18)22/h2-9,18-19,22H,10-13H2,1H3,(H,21,23)/t18-,19-/m1/s1
InChIKeyOYATYYQAFKPLNS-RTBURBONSA-N
MW325.41 g/mol
LogP2.47
Rot. Bonds4

About N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide

N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide (PubChem CID 91781332) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
PubChem CID91781332
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC NameN-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(Cc2ccccc2C(=O)N[C@@H]2COCC[C@H]2O)cc1
InChIInChI=1S/C20H23NO3/c1-14-6-8-15(9-7-14)12-16-4-2-3-5-17(16)20(23)21-18-13-24-11-10-19(18)22/h2-9,18-19,22H,10-13H2,1H3,(H,21,23)/t18-,19-/m1/s1
InChIKeyOYATYYQAFKPLNS-RTBURBONSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(4-methylphenyl)methyl]benzamide
CID 3722320
N-[(3R,7R,8aS)-3-cyclopropyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-7-yl]-2-[(4-methylphenyl)methyl]benzamide
CID 154817388
N-[(3S,4S)-4-hydroxyoxan-3-yl]-5,6-dimethyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 129017457
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120573777
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
N-ethyl-1-methyl-4-[[2-[(4-methylphenyl)methyl]benzoyl]amino]pyrrolidine-2-carboxamide
CID 156607252
2-benzyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573776
2-fluoro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-3,4-dimethyl-5-[(6-pyrazol-1-yl-3-pyridinyl)methyl]benzamide
CID 137404581
5-chloro-N-[(3S,4S)-4-hydroxyoxan-3-yl]-6-methyl-4-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 129017569
2-ethoxy-N-[(3S,4R)-3-hydroxyoxan-4-yl]benzamide
CID 91765639
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide (CID 91781332) is N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide is Cc1ccc(Cc2ccccc2C(=O)N[C@@H]2COCC[C@H]2O)cc1.
What is the InChIKey of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide?
The InChIKey is OYATYYQAFKPLNS-RTBURBONSA-N. The full InChI is InChI=1S/C20H23NO3/c1-14-6-8-15(9-7-14)12-16-4-2-3-5-17(16)20(23)21-18-13-24-11-10-19(18)22/h2-9,18-19,22H,10-13H2,1H3,(H,21,23)/t18-,19-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide?
N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide has a molecular weight of 325.41 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxyoxan-3-yl]-2-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 91781332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).