N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide

C16H24N2O2 — CID 108518842

IUPACN-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide
SMILESCCN(C(=O)C(=O)N(C)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-6-18(16(2,3)4)15(20)14(19)17(5)12-13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3
InChIKeyNPSFTRNVTLCRDW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.29
Rot. Bonds3

About N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide

N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide (PubChem CID 108518842) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide.

Molecular Properties

Compound NameN-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide
PubChem CID108518842
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide
SMILESCCN(C(=O)C(=O)N(C)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H24N2O2/c1-6-18(16(2,3)4)15(20)14(19)17(5)12-13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3
InChIKeyNPSFTRNVTLCRDW-UHFFFAOYSA-N
XLogP2.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
CID 108518840
N-benzyl-N,2-dimethyl-2-(methylamino)propanamide
CID 62834859
N-benzyl-N-tert-butyl-2,2,2-trichloroacetamide
CID 15830435
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
3-amino-N-benzyl-N,3-dimethylbutanamide
CID 64684536
2-[2-[benzyl(methyl)amino]-2-oxoethyl]sulfanyl-2-methylpropanoic acid
CID 81230408
2-amino-N-benzyl-N,2-dimethylpentanamide
CID 60848746

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide?
The IUPAC name of N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide (CID 108518842) is N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide.
What is the SMILES notation for N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide?
The canonical SMILES for N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide is CCN(C(=O)C(=O)N(C)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide?
The InChIKey is NPSFTRNVTLCRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-6-18(16(2,3)4)15(20)14(19)17(5)12-13-10-8-7-9-11-13/h7-11H,6,12H2,1-5H3.
What are the key properties of N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide?
N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide has a molecular weight of 276.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide is sourced from PubChem (CID 108518842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).