(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide

C18H20N2O4 — CID 501436

IUPAC(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
SMILESO=C(NCc1ccccc1)[C@@H](O)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKeyBBYSAHVLSFBCMN-HOTGVXAUSA-N
MW328.37 g/mol
LogP0.34
Rot. Bonds7

About (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide

(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide (PubChem CID 501436) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide.

Molecular Properties

Compound Name(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
PubChem CID501436
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide
SMILESO=C(NCc1ccccc1)[C@@H](O)[C@H](O)C(=O)NCc1ccccc1
InChIInChI=1S/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1
InChIKeyBBYSAHVLSFBCMN-HOTGVXAUSA-N
XLogP0.34
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide?
The IUPAC name of (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide (CID 501436) is (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide.
What is the SMILES notation for (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide?
The canonical SMILES for (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide is O=C(NCc1ccccc1)[C@@H](O)[C@H](O)C(=O)NCc1ccccc1.
What is the InChIKey of (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide?
The InChIKey is BBYSAHVLSFBCMN-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-15(17(23)19-11-13-7-3-1-4-8-13)16(22)18(24)20-12-14-9-5-2-6-10-14/h1-10,15-16,21-22H,11-12H2,(H,19,23)(H,20,24)/t15-,16-/m0/s1.
What are the key properties of (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide?
(2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide has a molecular weight of 328.37 g/mol, XLogP of 0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N'-dibenzyl-2,3-dihydroxybutanediamide is sourced from PubChem (CID 501436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).