N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide

C9H16N4O4 — CID 86248796

IUPACN'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
SMILESCCCNC(=O)C(=O)NCCNC(=O)C(N)=O
InChIInChI=1S/C9H16N4O4/c1-2-3-11-8(16)9(17)13-5-4-12-7(15)6(10)14/h2-5H2,1H3,(H2,10,14)(H,11,16)(H,12,15)(H,13,17)
InChIKeyADYZPSXWJTZORC-UHFFFAOYSA-N
MW244.25 g/mol
LogP-2.77
Rot. Bonds5

About N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide

N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide (PubChem CID 86248796) has the molecular formula C9H16N4O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide.

Molecular Properties

Compound NameN'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
PubChem CID86248796
Molecular FormulaC9H16N4O4
Molecular Weight244.25 g/mol
Exact Mass244.12
IUPAC NameN'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide
SMILESCCCNC(=O)C(=O)NCCNC(=O)C(N)=O
InChIInChI=1S/C9H16N4O4/c1-2-3-11-8(16)9(17)13-5-4-12-7(15)6(10)14/h2-5H2,1H3,(H2,10,14)(H,11,16)(H,12,15)(H,13,17)
InChIKeyADYZPSXWJTZORC-UHFFFAOYSA-N
XLogP-2.77
TPSA130.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 5-2.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-methyl-N-propylbut-2-enamide
CID 77255889
(Z)-3-amino-2-methyl-N-propylbut-2-enamide;hydrochloride
CID 87330833
2-oxo-N-propylpropanamide
CID 13291521
(E)-2-amino-N,N'-dipropylbut-2-enediamide
CID 90409713
2-methoxy-N-propylprop-2-enamide
CID 55287359
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
CID 154464806
(E)-3-hydroxy-2-methyl-N-propylbut-2-enamide
CID 87242208
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
3-amino-2-oxo-N-propylhexanamide
CID 88906277
2-hydrazinyl-2-oxo-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 43567602
N,N'-diheptyloxamide
CID 3417538

Frequently Asked Questions

What is the IUPAC name of N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide?
The IUPAC name of N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide (CID 86248796) is N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide.
What is the SMILES notation for N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide?
The canonical SMILES for N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide is CCCNC(=O)C(=O)NCCNC(=O)C(N)=O.
What is the InChIKey of N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide?
The InChIKey is ADYZPSXWJTZORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O4/c1-2-3-11-8(16)9(17)13-5-4-12-7(15)6(10)14/h2-5H2,1H3,(H2,10,14)(H,11,16)(H,12,15)(H,13,17).
What are the key properties of N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide?
N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide has a molecular weight of 244.25 g/mol, XLogP of -2.77, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[2-oxo-2-(propylamino)acetyl]amino]ethyl]oxamide is sourced from PubChem (CID 86248796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).