N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide

C10H16N4O3 — CID 54986518

IUPACN-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide
SMILESCCNC(=O)CN(CC)C(=O)C(=O)NCC#N
InChIInChI=1S/C10H16N4O3/c1-3-12-8(15)7-14(4-2)10(17)9(16)13-6-5-11/h3-4,6-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyBGLBSAFHXQQLRS-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.39
Rot. Bonds5

About N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide

N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide (PubChem CID 54986518) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide
PubChem CID54986518
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC NameN-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide
SMILESCCNC(=O)CN(CC)C(=O)C(=O)NCC#N
InChIInChI=1S/C10H16N4O3/c1-3-12-8(15)7-14(4-2)10(17)9(16)13-6-5-11/h3-4,6-7H2,1-2H3,(H,12,15)(H,13,16)
InChIKeyBGLBSAFHXQQLRS-UHFFFAOYSA-N
XLogP-1.39
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide?
The IUPAC name of N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide (CID 54986518) is N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide is CCNC(=O)CN(CC)C(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide?
The InChIKey is BGLBSAFHXQQLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-12-8(15)7-14(4-2)10(17)9(16)13-6-5-11/h3-4,6-7H2,1-2H3,(H,12,15)(H,13,16).
What are the key properties of N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide?
N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide has a molecular weight of 240.26 g/mol, XLogP of -1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide is sourced from PubChem (CID 54986518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).