N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide

C13H18N2O5 — CID 75490941

IUPACN-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C13H18N2O5/c1-7(17)14-8-2-4-9(5-3-8)15-13-12(19)11(18)10(6-16)20-13/h2-5,10-13,15-16,18-19H,6H2,1H3,(H,14,17)/t10-,11-,12-,13-/m1/s1
InChIKeyMHOOELFTBBLWLZ-FDYHWXHSSA-N
MW282.30 g/mol
LogP-0.50
Rot. Bonds4

About N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide

N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide (PubChem CID 75490941) has the molecular formula C13H18N2O5 and a molecular weight of 282.30 g/mol. Its IUPAC name is N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide
PubChem CID75490941
Molecular FormulaC13H18N2O5
Molecular Weight282.30 g/mol
Exact Mass282.12
IUPAC NameN-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C13H18N2O5/c1-7(17)14-8-2-4-9(5-3-8)15-13-12(19)11(18)10(6-16)20-13/h2-5,10-13,15-16,18-19H,6H2,1H3,(H,14,17)/t10-,11-,12-,13-/m1/s1
InChIKeyMHOOELFTBBLWLZ-FDYHWXHSSA-N
XLogP-0.50
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide (CID 75490941) is N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide?
The InChIKey is MHOOELFTBBLWLZ-FDYHWXHSSA-N. The full InChI is InChI=1S/C13H18N2O5/c1-7(17)14-8-2-4-9(5-3-8)15-13-12(19)11(18)10(6-16)20-13/h2-5,10-13,15-16,18-19H,6H2,1H3,(H,14,17)/t10-,11-,12-,13-/m1/s1.
What are the key properties of N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide?
N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide has a molecular weight of 282.30 g/mol, XLogP of -0.50, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 75490941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).