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

C16H24N2O4 — CID 57328060

IUPAC1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide
SMILESCC[C@H](CO)NC(=O)c1ccccc1C(=O)N[C@H](CC)CO
InChIInChI=1S/C16H24N2O4/c1-3-11(9-19)17-15(21)13-7-5-6-8-14(13)16(22)18-12(4-2)10-20/h5-8,11-12,19-20H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,22)/t11-,12-/m1/s1
InChIKeyIBSGUGQKWUGEIY-VXGBXAGGSA-N
MW308.38 g/mol
LogP0.69
Rot. Bonds8

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

1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide (PubChem CID 57328060) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide
PubChem CID57328060
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide
SMILESCC[C@H](CO)NC(=O)c1ccccc1C(=O)N[C@H](CC)CO
InChIInChI=1S/C16H24N2O4/c1-3-11(9-19)17-15(21)13-7-5-6-8-14(13)16(22)18-12(4-2)10-20/h5-8,11-12,19-20H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,22)/t11-,12-/m1/s1
InChIKeyIBSGUGQKWUGEIY-VXGBXAGGSA-N
XLogP0.69
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 44578533
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CID 3329711
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CID 57328040

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide?
The IUPAC name of 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide (CID 57328060) is 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide.
What is the SMILES notation for 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide?
The canonical SMILES for 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide is CC[C@H](CO)NC(=O)c1ccccc1C(=O)N[C@H](CC)CO.
What is the InChIKey of 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide?
The InChIKey is IBSGUGQKWUGEIY-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-3-11(9-19)17-15(21)13-7-5-6-8-14(13)16(22)18-12(4-2)10-20/h5-8,11-12,19-20H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,22)/t11-,12-/m1/s1.
What are the key properties of 1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide?
1-N,2-N-bis[(2R)-1-hydroxybutan-2-yl]benzene-1,2-dicarboxamide has a molecular weight of 308.38 g/mol, XLogP of 0.69, 8 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-hydroxybutan-2-yl]benzene-1,2-dicarboxamide is sourced from PubChem (CID 57328060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).