N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide

C14H20N2O5 — CID 142264713

IUPACN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20N2O5/c1-15-9-5-3-2-4-8(9)14(20)16-10-7-21-11(6-17)13(19)12(10)18/h2-5,10-13,15,17-19H,6-7H2,1H3,(H,16,20)/t10-,11+,12+,13+/m0/s1
InChIKeyWJVLWIOJQIXYSY-UMSGYPCISA-N
MW296.32 g/mol
LogP-1.06
Rot. Bonds4

About N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide

N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide (PubChem CID 142264713) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide
PubChem CID142264713
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC NameN-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H20N2O5/c1-15-9-5-3-2-4-8(9)14(20)16-10-7-21-11(6-17)13(19)12(10)18/h2-5,10-13,15,17-19H,6-7H2,1H3,(H,16,20)/t10-,11+,12+,13+/m0/s1
InChIKeyWJVLWIOJQIXYSY-UMSGYPCISA-N
XLogP-1.06
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 5-1.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide with MolForge

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Related Compounds

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide
CID 134460654
phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
CID 166975430
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
(2R,3S,4R,5S)-2-(hydroxymethyl)oxane-3,4,5-triol;methyl 2-hydroxybenzoate
CID 174972702
2-(methylamino)-N-(3,4,5-trihydroxyoxan-2-yl)oxybenzamide
CID 145030710
N-[4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]thiophene-2-carboxamide
CID 162969601
2-acetamido-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 57340112
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1,2-oxazol-5-ylamino)oxane-3,4-diol
CID 165180135
(3R,4R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 59922885
(2S,3R,4R,5R)-2-(hydroxymethyl)oxane-3,4,5-triol
CID 6102335
2-(methylamino)-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949890
2-(methylamino)-N-(5-methyl-2-propan-2-ylcyclohexyl)benzamide
CID 63552614

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide?
The IUPAC name of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide (CID 142264713) is N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide?
The canonical SMILES for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide?
The InChIKey is WJVLWIOJQIXYSY-UMSGYPCISA-N. The full InChI is InChI=1S/C14H20N2O5/c1-15-9-5-3-2-4-8(9)14(20)16-10-7-21-11(6-17)13(19)12(10)18/h2-5,10-13,15,17-19H,6-7H2,1H3,(H,16,20)/t10-,11+,12+,13+/m0/s1.
What are the key properties of N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide?
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide has a molecular weight of 296.32 g/mol, XLogP of -1.06, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide is sourced from PubChem (CID 142264713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).