N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide

C10H20N4O3 — CID 55000373

IUPACN-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide
SMILESCC(C)NC(=O)CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C10H20N4O3/c1-7(2)13-8(15)6-14(3)10(17)9(16)12-5-4-11/h7H,4-6,11H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyGSXPJHGRWGJLJD-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.96
Rot. Bonds5

About N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide

N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide (PubChem CID 55000373) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide
PubChem CID55000373
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide
SMILESCC(C)NC(=O)CN(C)C(=O)C(=O)NCCN
InChIInChI=1S/C10H20N4O3/c1-7(2)13-8(15)6-14(3)10(17)9(16)12-5-4-11/h7H,4-6,11H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyGSXPJHGRWGJLJD-UHFFFAOYSA-N
XLogP-1.96
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-methyl-N'-[2-(methylamino)-2-oxoethyl]oxamide
CID 43374719
N-(2-aminoethyl)-N'-[2-(dimethylamino)-2-oxoethyl]-N'-methyloxamide
CID 43374724
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
N-(2-aminoethyl)-N'-(5-hydroxypentyl)-N'-methyloxamide
CID 107197511
N-(2-aminoethyl)-N'-methyl-N'-pentan-2-yloxamide
CID 43571597
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
N-(2-aminoethyl)-N'-methyl-N'-pentan-3-yloxamide
CID 43570583
N-(2-aminoethyl)-N'-(2-ethoxyethyl)-N'-methyloxamide
CID 81053733
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide?
The IUPAC name of N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide (CID 55000373) is N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide.
What is the SMILES notation for N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide?
The canonical SMILES for N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide is CC(C)NC(=O)CN(C)C(=O)C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide?
The InChIKey is GSXPJHGRWGJLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-7(2)13-8(15)6-14(3)10(17)9(16)12-5-4-11/h7H,4-6,11H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide?
N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide has a molecular weight of 244.29 g/mol, XLogP of -1.96, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N'-methyl-N'-[2-oxo-2-(propan-2-ylamino)ethyl]oxamide is sourced from PubChem (CID 55000373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).