N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide

C10H17N3O2 — CID 43316288

IUPACN-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
SMILESCCN(CC(C)C)C(=O)C(=O)NCC#N
InChIInChI=1S/C10H17N3O2/c1-4-13(7-8(2)3)10(15)9(14)12-6-5-11/h8H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyVNHDMJWLCCQWDG-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.13
Rot. Bonds4

About N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide

N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide (PubChem CID 43316288) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
PubChem CID43316288
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide
SMILESCCN(CC(C)C)C(=O)C(=O)NCC#N
InChIInChI=1S/C10H17N3O2/c1-4-13(7-8(2)3)10(15)9(14)12-6-5-11/h8H,4,6-7H2,1-3H3,(H,12,14)
InChIKeyVNHDMJWLCCQWDG-UHFFFAOYSA-N
XLogP0.13
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.13
H-Bond Donors ≤ 51
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

N-(cyanomethyl)-N'-[2-(dimethylamino)ethyl]-N'-(2-methylpropyl)oxamide
CID 55008997
N-(cyanomethyl)-N'-ethyl-N'-[2-(ethylamino)-2-oxoethyl]oxamide
CID 54986518
N-(2-methoxyethyl)-N',N'-bis(2-methylpropyl)oxamide
CID 108505035
N-[2-(dimethylamino)ethyl]-N',N'-bis(2-methylpropyl)oxamide
CID 108529511
1-ethyl-3-methyl-1-(2-methylpropyl)urea
CID 59108349
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-ethyl-N-(2-methylpropyl)propanamide
CID 54345595
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
N',N'-diethyl-N-(2-hydroxyethyl)oxamide
CID 108526072
2-amino-N-ethyl-N-(2-methylpropyl)propanamide
CID 43273810
3-(cyanomethyl)-1-ethyl-1-methylurea
CID 79160219
N-(2-cyanopropyl)-N-ethyl-2-(methylamino)acetamide
CID 60962782

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide?
The IUPAC name of N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide (CID 43316288) is N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide.
What is the SMILES notation for N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide?
The canonical SMILES for N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide is CCN(CC(C)C)C(=O)C(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide?
The InChIKey is VNHDMJWLCCQWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-13(7-8(2)3)10(15)9(14)12-6-5-11/h8H,4,6-7H2,1-3H3,(H,12,14).
What are the key properties of N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide?
N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide has a molecular weight of 211.26 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N'-ethyl-N'-(2-methylpropyl)oxamide is sourced from PubChem (CID 43316288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).