(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide

C18H20N2O3 — CID 142645744

IUPAC(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide
SMILESCc1ccccc1-c1ccc(CC(CC(=O)NO)C(N)=O)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-2-3-5-16(12)14-8-6-13(7-9-14)10-15(18(19)22)11-17(21)20-23/h2-9,15,23H,10-11H2,1H3,(H2,19,22)(H,20,21)
InChIKeyDJNPMIXXKUBNGO-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.20
Rot. Bonds6

About (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide

(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide (PubChem CID 142645744) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide.

Molecular Properties

Compound Name(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide
PubChem CID142645744
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide
SMILESCc1ccccc1-c1ccc(CC(CC(=O)NO)C(N)=O)cc1
InChIInChI=1S/C18H20N2O3/c1-12-4-2-3-5-16(12)14-8-6-13(7-9-14)10-15(18(19)22)11-17(21)20-23/h2-9,15,23H,10-11H2,1H3,(H2,19,22)(H,20,21)
InChIKeyDJNPMIXXKUBNGO-UHFFFAOYSA-N
XLogP2.20
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
CID 142645741
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
CID 131883874
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]butanediamide
CID 70064312
2-[4-(2-methylphenyl)phenyl]propanamide
CID 155097671
3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408499
methyl (3R)-4-amino-3-benzyl-4-oxobutanoate
CID 170449979
propan-2-yl 4-(2-methylphenyl)benzoate
CID 139781479
cis-(1S,2R)-N-hydroxy-2-[[2-[4-(2-methylphenyl)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 139969147
(2R)-2-benzyl-5-(4-bromophenyl)-4-oxopentanamide
CID 147604512
1-methyl-2-[4-[[4-(2-methylphenyl)phenyl]methylsulfinylmethyl]phenyl]benzene
CID 70431947
2-[[4-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-N'-hydroxy-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)butanediamide
CID 87931660

Frequently Asked Questions

What is the IUPAC name of (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide?
The IUPAC name of (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide (CID 142645744) is (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide.
What is the SMILES notation for (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide?
The canonical SMILES for (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide is Cc1ccccc1-c1ccc(CC(CC(=O)NO)C(N)=O)cc1.
What is the InChIKey of (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide?
The InChIKey is DJNPMIXXKUBNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-4-2-3-5-16(12)14-8-6-13(7-9-14)10-15(18(19)22)11-17(21)20-23/h2-9,15,23H,10-11H2,1H3,(H2,19,22)(H,20,21).
What are the key properties of (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide?
(2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide has a molecular weight of 312.37 g/mol, XLogP of 2.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N'-hydroxy-2-[[4-(2-methylphenyl)phenyl]methyl]butanediamide is sourced from PubChem (CID 142645744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).