3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide

C11H14N2O5 — CID 67742134

IUPAC3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(O)cc(C(=O)NC(CO)CO)c1
InChIInChI=1S/C11H14N2O5/c12-10(17)6-1-7(3-9(16)2-6)11(18)13-8(4-14)5-15/h1-3,8,14-16H,4-5H2,(H2,12,17)(H,13,18)
InChIKeyQORRRMLEJYFCFK-UHFFFAOYSA-N
MW254.24 g/mol
LogP-1.43
Rot. Bonds5

About 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide

3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide (PubChem CID 67742134) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide
PubChem CID67742134
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide
SMILESNC(=O)c1cc(O)cc(C(=O)NC(CO)CO)c1
InChIInChI=1S/C11H14N2O5/c12-10(17)6-1-7(3-9(16)2-6)11(18)13-8(4-14)5-15/h1-3,8,14-16H,4-5H2,(H2,12,17)(H,13,18)
InChIKeyQORRRMLEJYFCFK-UHFFFAOYSA-N
XLogP-1.43
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-1.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
CID 151969926
3,5-dihydroxy-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107861182
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane
CID 153358039
3-hydroxy-5-(3-oxobutanoyl)benzamide
CID 139744454
1-N,3-N,5-N-tris[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzene-1,3,5-tricarboxamide
CID 102400382
2-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]-6-oxo-1H-pyridine-4-carboxamide
CID 104981474
5-hydroxy-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 104981468
5-methyl-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 21084966
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
CID 86337510
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493

Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide (CID 67742134) is 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide is NC(=O)c1cc(O)cc(C(=O)NC(CO)CO)c1.
What is the InChIKey of 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide?
The InChIKey is QORRRMLEJYFCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c12-10(17)6-1-7(3-9(16)2-6)11(18)13-8(4-14)5-15/h1-3,8,14-16H,4-5H2,(H2,12,17)(H,13,18).
What are the key properties of 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide?
3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide has a molecular weight of 254.24 g/mol, XLogP of -1.43, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide is sourced from PubChem (CID 67742134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).