1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane

C17H29N3O6 — CID 153358039

IUPAC1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane
SMILESCC.CNc1cc(C(=O)NC(CO)CO)cc(C(=O)NC(CO)CO)c1
InChIInChI=1S/C15H23N3O6.C2H6/c1-16-11-3-9(14(23)17-12(5-19)6-20)2-10(4-11)15(24)18-13(7-21)8-22;1-2/h2-4,12-13,16,19-22H,5-8H2,1H3,(H,17,23)(H,18,24);1-2H3
InChIKeyOHGVHSBUFZYRQW-UHFFFAOYSA-N
MW371.43 g/mol
LogP-1.08
Rot. Bonds9

About 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane

1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane (PubChem CID 153358039) has the molecular formula C17H29N3O6 and a molecular weight of 371.43 g/mol. Its IUPAC name is 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane.

Molecular Properties

Compound Name1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane
PubChem CID153358039
Molecular FormulaC17H29N3O6
Molecular Weight371.43 g/mol
Exact Mass371.21
IUPAC Name1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane
SMILESCC.CNc1cc(C(=O)NC(CO)CO)cc(C(=O)NC(CO)CO)c1
InChIInChI=1S/C15H23N3O6.C2H6/c1-16-11-3-9(14(23)17-12(5-19)6-20)2-10(4-11)15(24)18-13(7-21)8-22;1-2/h2-4,12-13,16,19-22H,5-8H2,1H3,(H,17,23)(H,18,24);1-2H3
InChIKeyOHGVHSBUFZYRQW-UHFFFAOYSA-N
XLogP-1.08
TPSA151.15 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.43
LogP ≤ 5-1.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-1-[3,5-bis(1,3-dihydroxypropan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl] acetate
CID 169227241
3-N-(1,3-dihydroxypropan-2-yl)-5-hydroxybenzene-1,3-dicarboxamide
CID 67742134
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
1-N,3-N,5-N-tri(heptan-4-yl)benzene-1,3,5-tricarboxamide
CID 70884493
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-N-(1,3-dihydroxypropan-2-yl)pyridine-3,5-dicarboxamide
CID 151969926
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
N-(1,3-dihydroxypropan-2-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 65314932
3,5-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61245438
N-(1,3-dihydroxypropan-2-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 104580697
N-(1,3-dihydroxypropan-2-yl)-3-sulfanylbenzamide
CID 107031183

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane?
The IUPAC name of 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane (CID 153358039) is 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane.
What is the SMILES notation for 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane?
The canonical SMILES for 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane is CC.CNc1cc(C(=O)NC(CO)CO)cc(C(=O)NC(CO)CO)c1.
What is the InChIKey of 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane?
The InChIKey is OHGVHSBUFZYRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6.C2H6/c1-16-11-3-9(14(23)17-12(5-19)6-20)2-10(4-11)15(24)18-13(7-21)8-22;1-2/h2-4,12-13,16,19-22H,5-8H2,1H3,(H,17,23)(H,18,24);1-2H3.
What are the key properties of 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane?
1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane has a molecular weight of 371.43 g/mol, XLogP of -1.08, 9 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(1,3-dihydroxypropan-2-yl)-5-(methylamino)benzene-1,3-dicarboxamide;ethane is sourced from PubChem (CID 153358039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).