N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide

C14H19N3O3 — CID 108518840

IUPACN'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-11(18)17(9-8-15)14(20)13(19)16(2)10-12-6-4-3-5-7-12/h3-7H,8-10,15H2,1-2H3
InChIKeyDEVIDGBSBMZDQI-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.02
Rot. Bonds4

About N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide

N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide (PubChem CID 108518840) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide.

Molecular Properties

Compound NameN'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
PubChem CID108518840
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide
SMILESCC(=O)N(CCN)C(=O)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C14H19N3O3/c1-11(18)17(9-8-15)14(20)13(19)16(2)10-12-6-4-3-5-7-12/h3-7H,8-10,15H2,1-2H3
InChIKeyDEVIDGBSBMZDQI-UHFFFAOYSA-N
XLogP-0.02
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-aminoethyl)-1-benzyl-3,3-dimethylurea
CID 79153729
N-(2-aminoethyl)-N-(benzylcarbamoyl)acetamide
CID 108871331
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812
N-benzyl-N,N'-dimethyl-N'-phenyloxamide
CID 108518736
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
N-benzyl-N'-tert-butyl-N'-ethyl-N-methyloxamide
CID 108518842
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
1-benzyl-1,3-dimethyl-3-prop-1-en-2-ylurea
CID 70519358
N'-benzyl-N,N'-dimethyl-N-(2-pyridin-4-ylethyl)oxamide
CID 108984872
N-[3-[benzyl(methyl)amino]propyl]-N-methylacetamide
CID 71063617

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide?
The IUPAC name of N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide (CID 108518840) is N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide.
What is the SMILES notation for N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide?
The canonical SMILES for N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide is CC(=O)N(CCN)C(=O)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide?
The InChIKey is DEVIDGBSBMZDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-11(18)17(9-8-15)14(20)13(19)16(2)10-12-6-4-3-5-7-12/h3-7H,8-10,15H2,1-2H3.
What are the key properties of N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide?
N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide has a molecular weight of 277.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-N'-(2-aminoethyl)-N-benzyl-N-methyloxamide is sourced from PubChem (CID 108518840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).