1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide

C14H20N2O4 — CID 786729

IUPAC1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
SMILESC[C@H](CO)NC(=O)c1ccccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C14H20N2O4/c1-9(7-17)15-13(19)11-5-3-4-6-12(11)14(20)16-10(2)8-18/h3-6,9-10,17-18H,7-8H2,1-2H3,(H,15,19)(H,16,20)/t9-,10-/m1/s1
InChIKeyXAVIHJICPQSNDA-NXEZZACHSA-N
MW280.32 g/mol
LogP-0.09
Rot. Bonds6

About 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide

1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide (PubChem CID 786729) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
PubChem CID786729
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
SMILESC[C@H](CO)NC(=O)c1ccccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C14H20N2O4/c1-9(7-17)15-13(19)11-5-3-4-6-12(11)14(20)16-10(2)8-18/h3-6,9-10,17-18H,7-8H2,1-2H3,(H,15,19)(H,16,20)/t9-,10-/m1/s1
InChIKeyXAVIHJICPQSNDA-NXEZZACHSA-N
XLogP-0.09
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-formyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87984886
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
2-anilino-N-(1-hydroxypropan-2-yl)benzamide
CID 110887420
2-diphenylphosphanyl-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 149362786
2-(difluoromethoxy)-N-(1-hydroxypropan-2-yl)benzamide
CID 43418621
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
2-(4-methylpentan-2-ylcarbamoyl)benzoic acid
CID 43529160
N-(1-hydroxypropan-2-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 78856709
N-(1-hydroxypropan-2-yl)-2-methyl-6-phenylpyridine-3-carboxamide
CID 78856776
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide (CID 786729) is 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide is C[C@H](CO)NC(=O)c1ccccc1C(=O)N[C@H](C)CO.
What is the InChIKey of 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is XAVIHJICPQSNDA-NXEZZACHSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(7-17)15-13(19)11-5-3-4-6-12(11)14(20)16-10(2)8-18/h3-6,9-10,17-18H,7-8H2,1-2H3,(H,15,19)(H,16,20)/t9-,10-/m1/s1.
What are the key properties of 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 280.32 g/mol, XLogP of -0.09, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 786729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).