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

C15H22N2O3 — CID 75410006

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C)cc2)[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)7-17-13-9-20-14(15(13)19)8-16-11(2)18/h3-6,13-15,17,19H,7-9H2,1-2H3,(H,16,18)/t13-,14-,15+/m1/s1
InChIKeyRMUHKIFYSDGIBA-KFWWJZLASA-N
MW278.35 g/mol
LogP0.35
Rot. Bonds5

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

N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide (PubChem CID 75410006) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide
PubChem CID75410006
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C)cc2)[C@@H]1O
InChIInChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)7-17-13-9-20-14(15(13)19)8-16-11(2)18/h3-6,13-15,17,19H,7-9H2,1-2H3,(H,16,18)/t13-,14-,15+/m1/s1
InChIKeyRMUHKIFYSDGIBA-KFWWJZLASA-N
XLogP0.35
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide (CID 75410006) is N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide is CC(=O)NC[C@H]1OC[C@@H](NCc2ccc(C)cc2)[C@@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide?
The InChIKey is RMUHKIFYSDGIBA-KFWWJZLASA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-3-5-12(6-4-10)7-17-13-9-20-14(15(13)19)8-16-11(2)18/h3-6,13-15,17,19H,7-9H2,1-2H3,(H,16,18)/t13-,14-,15+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide?
N-[[(2R,3S,4R)-3-hydroxy-4-[(4-methylphenyl)methylamino]oxolan-2-yl]methyl]acetamide has a molecular weight of 278.35 g/mol, XLogP of 0.35, 5 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]acetamide is sourced from PubChem (CID 75410006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).