2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide

C17H18N2O4 — CID 143478445

IUPAC2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
SMILESCNC(=O)C(O)C(O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c1-18-16(22)14(20)15(21)17(23)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14-15,20-21H,1H3,(H,18,22)(H,19,23)
InChIKeyDGLRIMNFCOQDON-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.76
Rot. Bonds5

About 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide

2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide (PubChem CID 143478445) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
PubChem CID143478445
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Name2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide
SMILESCNC(=O)C(O)C(O)C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H18N2O4/c1-18-16(22)14(20)15(21)17(23)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14-15,20-21H,1H3,(H,18,22)(H,19,23)
InChIKeyDGLRIMNFCOQDON-UHFFFAOYSA-N
XLogP0.76
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylphenyl)acetamide
CID 19998
2-bromo-3-methyl-N-(4-phenylphenyl)butanamide
CID 43244711
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
CID 23585233
2-(aminomethyl)-N-(4-phenylphenyl)butanamide
CID 62254928
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
5-amino-2-methyl-N-(4-phenylphenyl)pentanamide
CID 104683998
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
2,3-dihydroxy-N-methyl-4-oxo-4-[4-(4-phenylphenyl)piperidin-1-yl]butanamide
CID 23585285
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
(2S)-2-(methylamino)-N-phenylpropanamide;hydrochloride
CID 70254304
2-(azetidin-3-yl)-N-(4-phenylphenyl)propanamide
CID 116675538
2-methyl-2-(methylamino)-N-(4-phenylphenyl)propanamide
CID 62836926

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide?
The IUPAC name of 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide (CID 143478445) is 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide.
What is the SMILES notation for 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide?
The canonical SMILES for 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide is CNC(=O)C(O)C(O)C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide?
The InChIKey is DGLRIMNFCOQDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-18-16(22)14(20)15(21)17(23)19-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10,14-15,20-21H,1H3,(H,18,22)(H,19,23).
What are the key properties of 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide?
2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide has a molecular weight of 314.34 g/mol, XLogP of 0.76, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-methyl-N'-(4-phenylphenyl)butanediamide is sourced from PubChem (CID 143478445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).