N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide

C12H17N3O2 — CID 62003887

IUPACN-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(N(C)C(=O)C(=O)NCCN)c1
InChIInChI=1S/C12H17N3O2/c1-9-4-3-5-10(8-9)15(2)12(17)11(16)14-7-6-13/h3-5,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyQFPATTUANOEOHJ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.03
Rot. Bonds3

About N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide

N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide (PubChem CID 62003887) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
PubChem CID62003887
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(N(C)C(=O)C(=O)NCCN)c1
InChIInChI=1S/C12H17N3O2/c1-9-4-3-5-10(8-9)15(2)12(17)11(16)14-7-6-13/h3-5,8H,6-7,13H2,1-2H3,(H,14,16)
InChIKeyQFPATTUANOEOHJ-UHFFFAOYSA-N
XLogP0.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(3-methylphenyl)acetamide
CID 28794377
N'-ethyl-N-(3-methylbutyl)-N'-(3-methylphenyl)oxamide
CID 108532502
3-(aminomethyl)-N-methyl-N-(3-methylphenyl)oxetane-3-carboxamide
CID 115185610
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N-methyl-4-(methylamino)-N-(3-methylphenyl)benzamide
CID 62175593
2-(aminomethyl)-N,2-dimethyl-N-(3-methylphenyl)butanamide
CID 113270071
N-methyl-N-(3-methylphenyl)-4-(propylamino)benzamide
CID 62175774
2-aminoethylcarbamic acid;toluene
CID 70566419
methyl 4-(N,3-dimethylanilino)-2-(propan-2-ylamino)butanoate
CID 63053650
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
1-amino-3-(N,3-dimethylanilino)propan-2-one
CID 83818168
N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
CID 28768817

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide (CID 62003887) is N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide is Cc1cccc(N(C)C(=O)C(=O)NCCN)c1.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide?
The InChIKey is QFPATTUANOEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9-4-3-5-10(8-9)15(2)12(17)11(16)14-7-6-13/h3-5,8H,6-7,13H2,1-2H3,(H,14,16).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide?
N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide has a molecular weight of 235.29 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-methyl-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 62003887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).