(2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide

C16H16N2O4 — CID 784718

IUPAC(2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide
SMILESO=C(Nc1ccccc1)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-13(15(21)17-11-7-3-1-4-8-11)14(20)16(22)18-12-9-5-2-6-10-12/h1-10,13-14,19-20H,(H,17,21)(H,18,22)/t13-,14-/m0/s1
InChIKeyRMACBBOFZDWABJ-KBPBESRZSA-N
MW300.31 g/mol
LogP0.99
Rot. Bonds5

About (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide

(2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide (PubChem CID 784718) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide.

Molecular Properties

Compound Name(2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide
PubChem CID784718
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name(2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide
SMILESO=C(Nc1ccccc1)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16N2O4/c19-13(15(21)17-11-7-3-1-4-8-11)14(20)16(22)18-12-9-5-2-6-10-12/h1-10,13-14,19-20H,(H,17,21)(H,18,22)/t13-,14-/m0/s1
InChIKeyRMACBBOFZDWABJ-KBPBESRZSA-N
XLogP0.99
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide?
The IUPAC name of (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide (CID 784718) is (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide.
What is the SMILES notation for (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide?
The canonical SMILES for (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide is O=C(Nc1ccccc1)[C@@H](O)[C@H](O)C(=O)Nc1ccccc1.
What is the InChIKey of (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide?
The InChIKey is RMACBBOFZDWABJ-KBPBESRZSA-N. The full InChI is InChI=1S/C16H16N2O4/c19-13(15(21)17-11-7-3-1-4-8-11)14(20)16(22)18-12-9-5-2-6-10-12/h1-10,13-14,19-20H,(H,17,21)(H,18,22)/t13-,14-/m0/s1.
What are the key properties of (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide?
(2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide has a molecular weight of 300.31 g/mol, XLogP of 0.99, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dihydroxy-N,N'-diphenylbutanediamide is sourced from PubChem (CID 784718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).