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

C15H22N2O3 — CID 75536613

IUPACN-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide
SMILESCC(C)N[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C15H22N2O3/c1-10(2)17-12-9-20-13(14(12)18)8-16-15(19)11-6-4-3-5-7-11/h3-7,10,12-14,17-18H,8-9H2,1-2H3,(H,16,19)/t12-,13-,14+/m1/s1
InChIKeyFRSZKBVHGGAZOV-MCIONIFRSA-N
MW278.35 g/mol
LogP0.54
Rot. Bonds5

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

N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide (PubChem CID 75536613) 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-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide
PubChem CID75536613
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide
SMILESCC(C)N[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O
InChIInChI=1S/C15H22N2O3/c1-10(2)17-12-9-20-13(14(12)18)8-16-15(19)11-6-4-3-5-7-11/h3-7,10,12-14,17-18H,8-9H2,1-2H3,(H,16,19)/t12-,13-,14+/m1/s1
InChIKeyFRSZKBVHGGAZOV-MCIONIFRSA-N
XLogP0.54
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 ≤ 50.54
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-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide?
The IUPAC name of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide (CID 75536613) is N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide?
The canonical SMILES for N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide is CC(C)N[C@@H]1CO[C@H](CNC(=O)c2ccccc2)[C@H]1O.
What is the InChIKey of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide?
The InChIKey is FRSZKBVHGGAZOV-MCIONIFRSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(2)17-12-9-20-13(14(12)18)8-16-15(19)11-6-4-3-5-7-11/h3-7,10,12-14,17-18H,8-9H2,1-2H3,(H,16,19)/t12-,13-,14+/m1/s1.
What are the key properties of N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide?
N-[[(2R,3S,4R)-3-hydroxy-4-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide has a molecular weight of 278.35 g/mol, XLogP of 0.54, 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-(propan-2-ylamino)oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 75536613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).