5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide

C16H22N2O7 — CID 153358046

IUPAC5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1cc(C(=O)NCC(O)CO)cc(C(=O)NCC(O)CO)c1
InChIInChI=1S/C16H22N2O7/c1-9(21)10-2-11(15(24)17-5-13(22)7-19)4-12(3-10)16(25)18-6-14(23)8-20/h2-4,13-14,19-20,22-23H,5-8H2,1H3,(H,17,24)(H,18,25)
InChIKeyRIZYVAVEKQYKID-UHFFFAOYSA-N
MW354.36 g/mol
LogP-1.94
Rot. Bonds9

About 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide

5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide (PubChem CID 153358046) has the molecular formula C16H22N2O7 and a molecular weight of 354.36 g/mol. Its IUPAC name is 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
PubChem CID153358046
Molecular FormulaC16H22N2O7
Molecular Weight354.36 g/mol
Exact Mass354.14
IUPAC Name5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
SMILESCC(=O)c1cc(C(=O)NCC(O)CO)cc(C(=O)NCC(O)CO)c1
InChIInChI=1S/C16H22N2O7/c1-9(21)10-2-11(15(24)17-5-13(22)7-19)4-12(3-10)16(25)18-6-14(23)8-20/h2-4,13-14,19-20,22-23H,5-8H2,1H3,(H,17,24)(H,18,25)
InChIKeyRIZYVAVEKQYKID-UHFFFAOYSA-N
XLogP-1.94
TPSA156.19 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.36
LogP ≤ 5-1.94
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

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Related Compounds

5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
CID 86337510
1-N,3-N-bis(2,3-dihydroxypropyl)-5-isocyanatobenzene-1,3-dicarboxamide
CID 169352877
N-(2,3-dihydroxypropyl)-2-hydroxy-6-oxo-1H-pyridine-4-carboxamide
CID 66177293
N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-[(2S)-2,3-dihydroxypropyl]-3-methylbenzamide
CID 40653428
4-(acetamidomethyl)-N-(2,3-dihydroxypropyl)benzamide
CID 66175163
N-(2,3-dihydroxypropyl)pyridine-4-carboxamide
CID 66176252
N-(2,3-dihydroxypropyl)-3,4-difluorobenzamide
CID 66176013
N-[(2S)-2,3-dihydroxypropyl]-3-propan-2-ylbenzamide
CID 172511882
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
3-(1,2-dihydroxyethyl)-N-(2,3-dihydroxypropyl)-5-nitrobenzamide
CID 18429365

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide (CID 153358046) is 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide is CC(=O)c1cc(C(=O)NCC(O)CO)cc(C(=O)NCC(O)CO)c1.
What is the InChIKey of 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
The InChIKey is RIZYVAVEKQYKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O7/c1-9(21)10-2-11(15(24)17-5-13(22)7-19)4-12(3-10)16(25)18-6-14(23)8-20/h2-4,13-14,19-20,22-23H,5-8H2,1H3,(H,17,24)(H,18,25).
What are the key properties of 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide?
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide has a molecular weight of 354.36 g/mol, XLogP of -1.94, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 153358046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).