N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide

C13H19N3O2 — CID 43575591

IUPACN-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C13H19N3O2/c1-10-5-3-4-6-11(10)9-16(2)13(18)12(17)15-8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyDSVQPAWYVPXCIM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.03
Rot. Bonds4

About N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide

N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide (PubChem CID 43575591) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
PubChem CID43575591
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
SMILESCc1ccccc1CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C13H19N3O2/c1-10-5-3-4-6-11(10)9-16(2)13(18)12(17)15-8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,17)
InChIKeyDSVQPAWYVPXCIM-UHFFFAOYSA-N
XLogP0.03
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
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

N-(2-amino-2-sulfanylideneethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 61411474
N-(2-aminoethyl)-3-(2-methylphenyl)propanamide
CID 62367065
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
3-amino-3-hydroxyimino-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 55135540
3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
N-(2-amino-2-sulfanylideneethyl)-N'-[(2-fluorophenyl)methyl]-N'-methyloxamide
CID 61412898
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
N-[4-(cyanomethyl)phenyl]-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide
CID 75416439
2-amino-3-fluoro-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62661751
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N-(3-aminopropyl)-N-[2-(2-methylphenyl)ethylcarbamoyl]formamide
CID 108899749
N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide (CID 43575591) is N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide is Cc1ccccc1CN(C)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
The InChIKey is DSVQPAWYVPXCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-5-3-4-6-11(10)9-16(2)13(18)12(17)15-8-7-14/h3-6H,7-9,14H2,1-2H3,(H,15,17).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide?
N-(2-aminoethyl)-N'-methyl-N'-[(2-methylphenyl)methyl]oxamide has a molecular weight of 249.31 g/mol, XLogP of 0.03, 4 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'-[(2-methylphenyl)methyl]oxamide is sourced from PubChem (CID 43575591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).