2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide

C18H20N2O4 — CID 141074859

IUPAC2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide
SMILESCc1ccc(C(O)(C(N)=O)C(O)(C(N)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-11-3-7-13(8-4-11)17(23,15(19)21)18(24,16(20)22)14-9-5-12(2)6-10-14/h3-10,23-24H,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyYELQBSFKJDLTRO-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.35
Rot. Bonds5

About 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide

2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide (PubChem CID 141074859) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide
PubChem CID141074859
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide
SMILESCc1ccc(C(O)(C(N)=O)C(O)(C(N)=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H20N2O4/c1-11-3-7-13(8-4-11)17(23,15(19)21)18(24,16(20)22)14-9-5-12(2)6-10-14/h3-10,23-24H,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyYELQBSFKJDLTRO-UHFFFAOYSA-N
XLogP0.35
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-bis(4-methylphenyl)propanediamide
CID 174721937
2-(2-methylphenyl)-2,2-bis(4-methylphenyl)acetamide
CID 20684858
3-hydroxy-3-(4-methylphenyl)butan-2-one
CID 121217070
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-amino-2-[4-[1,2-diamino-1-(4-methylphenyl)sulfonyl-2-oxoethyl]phenyl]-2-(4-methylphenyl)sulfonylacetamide
CID 67643685
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
methyl (2R)-2-hydroxy-2-(4-methylphenyl)propanoate
CID 15626355
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
carbonic acid;1,4-xylene
CID 89415214
3,3-difluoro-3-[4-(4-methylphenyl)phenyl]propanamide
CID 142387183
2-(3-bromo-4-methylphenyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 138561704
2-(4-methylphenyl)-2-(propan-2-ylamino)butanamide
CID 60787687

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide?
The IUPAC name of 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide (CID 141074859) is 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide.
What is the SMILES notation for 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide?
The canonical SMILES for 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide is Cc1ccc(C(O)(C(N)=O)C(O)(C(N)=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide?
The InChIKey is YELQBSFKJDLTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-3-7-13(8-4-11)17(23,15(19)21)18(24,16(20)22)14-9-5-12(2)6-10-14/h3-10,23-24H,1-2H3,(H2,19,21)(H2,20,22).
What are the key properties of 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide?
2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide has a molecular weight of 328.37 g/mol, XLogP of 0.35, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-2,3-bis(4-methylphenyl)butanediamide is sourced from PubChem (CID 141074859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).