N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide

C11H19N3O2 — CID 65043672

IUPACN-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide
SMILESCCC(CC)(CC)NC(=O)C(=O)NCC#N
InChIInChI=1S/C11H19N3O2/c1-4-11(5-2,6-3)14-10(16)9(15)13-8-7-12/h4-6,8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOTASDYXCQRLXPB-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.71
Rot. Bonds5

About N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide

N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide (PubChem CID 65043672) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide
PubChem CID65043672
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide
SMILESCCC(CC)(CC)NC(=O)C(=O)NCC#N
InChIInChI=1S/C11H19N3O2/c1-4-11(5-2,6-3)14-10(16)9(15)13-8-7-12/h4-6,8H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyOTASDYXCQRLXPB-UHFFFAOYSA-N
XLogP0.71
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(cyanomethyl)-2-ethylbutanamide
CID 115432428
N-(cyanomethyl)-N'-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 106148591
N'-(cyanomethyl)-N-(3-methylbut-2-enyl)oxamide
CID 106188852
N-(cyanomethyl)-2-(ethylamino)-2-methylpropanamide
CID 62835754
2-cyano-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]acetamide
CID 19350083
N-(cyanomethyl)-N'-(1-ethylpiperidin-3-yl)oxamide
CID 54958550
N-(cyanomethyl)-N'-(1-cyclohexylpropyl)oxamide
CID 62406161
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
N'-(4-tert-butylphenyl)-N-(cyanomethyl)oxamide
CID 43315681
1-cyano-N-(3-ethylpentan-3-yl)cyclopentane-1-carboxamide
CID 65043819
N-(cyanomethyl)-N'-(ethyl-methyl-oxo-λ6-sulfanylidene)oxamide
CID 165344232
N-(cyanomethyl)-N'-(2-methyl-3-methylsulfanylpropyl)oxamide
CID 63959995

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide (CID 65043672) is N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide is CCC(CC)(CC)NC(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide?
The InChIKey is OTASDYXCQRLXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-4-11(5-2,6-3)14-10(16)9(15)13-8-7-12/h4-6,8H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide?
N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide has a molecular weight of 225.29 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-(3-ethylpentan-3-yl)oxamide is sourced from PubChem (CID 65043672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).