N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide

C20H24N2O3 — CID 75410011

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1
InChIInChI=1S/C20H24N2O3/c1-14-7-9-15(10-8-14)11-21-17-13-25-18(19(17)23)12-22-20(24)16-5-3-2-4-6-16/h2-10,17-19,21,23H,11-13H2,1H3,(H,22,24)/t17-,18-,19+/m1/s1
InChIKeyHYAVPNNCBIQMNQ-QRVBRYPASA-N
MW340.42 g/mol
LogP1.64
Rot. Bonds6

About N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide (PubChem CID 75410011) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
PubChem CID75410011
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide
SMILESCc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1
InChIInChI=1S/C20H24N2O3/c1-14-7-9-15(10-8-14)11-21-17-13-25-18(19(17)23)12-22-20(24)16-5-3-2-4-6-16/h2-10,17-19,21,23H,11-13H2,1H3,(H,22,24)/t17-,18-,19+/m1/s1
InChIKeyHYAVPNNCBIQMNQ-QRVBRYPASA-N
XLogP1.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide (CID 75410011) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide is Cc1ccc(CN[C@@H]2CO[C@H](CNC(=O)c3ccccc3)[C@H]2O)cc1.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
The InChIKey is HYAVPNNCBIQMNQ-QRVBRYPASA-N. The full InChI is InChI=1S/C20H24N2O3/c1-14-7-9-15(10-8-14)11-21-17-13-25-18(19(17)23)12-22-20(24)16-5-3-2-4-6-16/h2-10,17-19,21,23H,11-13H2,1H3,(H,22,24)/t17-,18-,19+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide has a molecular weight of 340.42 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75410011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).