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

C15H22N2O5 — CID 134460654

IUPACN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC1C(C)OC(CO)C(O)C1O
InChIInChI=1S/C15H22N2O5/c1-8-12(14(20)13(19)11(7-18)22-8)17-15(21)9-5-3-4-6-10(9)16-2/h3-6,8,11-14,16,18-20H,7H2,1-2H3,(H,17,21)
InChIKeyXRJLMRXCHWZZHJ-UHFFFAOYSA-N
MW310.35 g/mol
LogP-0.67
Rot. Bonds4

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

N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide (PubChem CID 134460654) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide.

Molecular Properties

Compound NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide
PubChem CID134460654
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC NameN-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide
SMILESCNc1ccccc1C(=O)NC1C(C)OC(CO)C(O)C1O
InChIInChI=1S/C15H22N2O5/c1-8-12(14(20)13(19)11(7-18)22-8)17-15(21)9-5-3-4-6-10(9)16-2/h3-6,8,11-14,16,18-20H,7H2,1-2H3,(H,17,21)
InChIKeyXRJLMRXCHWZZHJ-UHFFFAOYSA-N
XLogP-0.67
TPSA111.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 5-0.67
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-N-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 57340112
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-(methylamino)benzamide
CID 142264713
N-[(4R,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 70930767
N-[(2R,3S,4S,5S,6S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 177167947
N-[(2S,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]acetamide
CID 58911480
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-7-phenylheptanamide
CID 155119108
2-diphenylphosphoryl-N-[(3R,5R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]benzamide
CID 59064632
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 76510956
N-[(2S,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]butanamide
CID 57326091
2-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamoyl]benzoic acid
CID 72999131
2-[(3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoic acid
CID 54266580
N-[(2S,3S,4S,5S,6R)-2-(2-acetylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 124771237

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide?
The IUPAC name of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide (CID 134460654) is N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide.
What is the SMILES notation for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide?
The canonical SMILES for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide is CNc1ccccc1C(=O)NC1C(C)OC(CO)C(O)C1O.
What is the InChIKey of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide?
The InChIKey is XRJLMRXCHWZZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-8-12(14(20)13(19)11(7-18)22-8)17-15(21)9-5-3-4-6-10(9)16-2/h3-6,8,11-14,16,18-20H,7H2,1-2H3,(H,17,21).
What are the key properties of N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide?
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide has a molecular weight of 310.35 g/mol, XLogP of -0.67, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dihydroxy-6-(hydroxymethyl)-2-methyloxan-3-yl]-2-(methylamino)benzamide is sourced from PubChem (CID 134460654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).