(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide

C20H24N2O4 — CID 54419404

IUPAC(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
SMILESCC(NC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13?,14?,17-,18-/m1/s1
InChIKeyVZSJUBSKKNIJEU-VKYMVXLJSA-N
MW356.42 g/mol
LogP1.46
Rot. Bonds7

About (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide

(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide (PubChem CID 54419404) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide.

Molecular Properties

Compound Name(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
PubChem CID54419404
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
SMILESCC(NC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13?,14?,17-,18-/m1/s1
InChIKeyVZSJUBSKKNIJEU-VKYMVXLJSA-N
XLogP1.46
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-methyl-N-[(1R)-1-phenylethyl]butanamide
CID 131853954
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-(methylamino)-N-[(1R)-1-phenylethyl]propanamide
CID 78953244
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
2-(methylamino)-N-[(1S)-1-phenylethyl]propanamide
CID 63870086
(2R)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10375743
(2S)-2-methoxy-N-[(1R)-1-phenylethyl]propanamide
CID 10330656
2-(methylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 12739398
(2S)-2-bromo-2-fluoro-N-[(1S)-1-phenylethyl]acetamide
CID 102438860
(2S)-2-methoxy-2-phenyl-N-[(1R)-1-phenylethyl]acetamide
CID 10378386
2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide?
The IUPAC name of (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide (CID 54419404) is (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide.
What is the SMILES notation for (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide?
The canonical SMILES for (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide is CC(NC(=O)[C@H](O)[C@@H](O)C(=O)NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide?
The InChIKey is VZSJUBSKKNIJEU-VKYMVXLJSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13(15-9-5-3-6-10-15)21-19(25)17(23)18(24)20(26)22-14(2)16-11-7-4-8-12-16/h3-14,17-18,23-24H,1-2H3,(H,21,25)(H,22,26)/t13?,14?,17-,18-/m1/s1.
What are the key properties of (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide?
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide has a molecular weight of 356.42 g/mol, XLogP of 1.46, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide is sourced from PubChem (CID 54419404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).