N',N'-dibenzyl-N-(2-methylpropyl)oxamide

C20H24N2O2 — CID 108504849

IUPACN',N'-dibenzyl-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16(2)13-21-19(23)20(24)22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,21,23)
InChIKeyBZMXFMMWLNCASG-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.99
Rot. Bonds6

About N',N'-dibenzyl-N-(2-methylpropyl)oxamide

N',N'-dibenzyl-N-(2-methylpropyl)oxamide (PubChem CID 108504849) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N',N'-dibenzyl-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-(2-methylpropyl)oxamide
PubChem CID108504849
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN',N'-dibenzyl-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C20H24N2O2/c1-16(2)13-21-19(23)20(24)22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,21,23)
InChIKeyBZMXFMMWLNCASG-UHFFFAOYSA-N
XLogP2.99
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N-dibenzyl-N',N'-bis(2-methylpropyl)oxamide
CID 108523671
N-(2-methylpropyl)-2-oxo-3-phenylpropanamide
CID 94682704
N'-benzyl-N-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108521418
N-(2-aminoethyl)-N'-benzyl-N'-propyloxamide
CID 43587245
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
N-benzyl-2-methyl-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]propanamide
CID 133148930
1,1-dibenzyl-3-propan-2-ylurea
CID 23988482
N'-benzyl-N-[3-(dimethylamino)propyl]-N'-(2-hydroxyethyl)oxamide
CID 108523741
N'-benzyl-N'-(2-hydroxyethyl)-N-(2-phenylethyl)oxamide
CID 108505831
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N'-benzyl-N'-ethyl-N-[(4-fluorophenyl)methyl]oxamide
CID 108523264
(2R)-2-[benzyl(propanoyl)amino]-N-(2-methylpropyl)-3-phenylpropanamide
CID 100741850

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-(2-methylpropyl)oxamide?
The IUPAC name of N',N'-dibenzyl-N-(2-methylpropyl)oxamide (CID 108504849) is N',N'-dibenzyl-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-(2-methylpropyl)oxamide?
The canonical SMILES for N',N'-dibenzyl-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-N-(2-methylpropyl)oxamide?
The InChIKey is BZMXFMMWLNCASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16(2)13-21-19(23)20(24)22(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,21,23).
What are the key properties of N',N'-dibenzyl-N-(2-methylpropyl)oxamide?
N',N'-dibenzyl-N-(2-methylpropyl)oxamide has a molecular weight of 324.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 108504849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).