3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide

C17H25N3O6 — CID 91017091

IUPAC3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide
SMILESCc1c(NC(=O)C(C)O)c(C)c(C(=O)NC(CO)CO)c(C)c1C(N)=O
InChIInChI=1S/C17H25N3O6/c1-7-12(15(18)24)8(2)14(20-16(25)10(4)23)9(3)13(7)17(26)19-11(5-21)6-22/h10-11,21-23H,5-6H2,1-4H3,(H2,18,24)(H,19,26)(H,20,25)
InChIKeyUFZVZMUDFZFRDV-UHFFFAOYSA-N
MW367.40 g/mol
LogP-0.89
Rot. Bonds7

About 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide

3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide (PubChem CID 91017091) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide
PubChem CID91017091
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide
SMILESCc1c(NC(=O)C(C)O)c(C)c(C(=O)NC(CO)CO)c(C)c1C(N)=O
InChIInChI=1S/C17H25N3O6/c1-7-12(15(18)24)8(2)14(20-16(25)10(4)23)9(3)13(7)17(26)19-11(5-21)6-22/h10-11,21-23H,5-6H2,1-4H3,(H2,18,24)(H,19,26)(H,20,25)
InChIKeyUFZVZMUDFZFRDV-UHFFFAOYSA-N
XLogP-0.89
TPSA161.98 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.40
LogP ≤ 5-0.89
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide (CID 91017091) is 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide is Cc1c(NC(=O)C(C)O)c(C)c(C(=O)NC(CO)CO)c(C)c1C(N)=O.
What is the InChIKey of 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide?
The InChIKey is UFZVZMUDFZFRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O6/c1-7-12(15(18)24)8(2)14(20-16(25)10(4)23)9(3)13(7)17(26)19-11(5-21)6-22/h10-11,21-23H,5-6H2,1-4H3,(H2,18,24)(H,19,26)(H,20,25).
What are the key properties of 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide?
3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide has a molecular weight of 367.40 g/mol, XLogP of -0.89, 7 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,3-dihydroxypropan-2-yl)-5-(2-hydroxypropanoylamino)-2,4,6-trimethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 91017091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).