N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide

C9H16N2O2 — CID 103020144

IUPACN-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CC#N
InChIInChI=1S/C9H16N2O2/c1-9(2,13-4)7-8(12)11(3)6-5-10/h6-7H2,1-4H3
InChIKeyFBJSZYMLWCCKKA-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.78
Rot. Bonds4

About N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide

N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide (PubChem CID 103020144) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide
PubChem CID103020144
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide
SMILESCOC(C)(C)CC(=O)N(C)CC#N
InChIInChI=1S/C9H16N2O2/c1-9(2,13-4)7-8(12)11(3)6-5-10/h6-7H2,1-4H3
InChIKeyFBJSZYMLWCCKKA-UHFFFAOYSA-N
XLogP0.78
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide?
The IUPAC name of N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide (CID 103020144) is N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide.
What is the SMILES notation for N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide?
The canonical SMILES for N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide is COC(C)(C)CC(=O)N(C)CC#N.
What is the InChIKey of N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide?
The InChIKey is FBJSZYMLWCCKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(2,13-4)7-8(12)11(3)6-5-10/h6-7H2,1-4H3.
What are the key properties of N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide?
N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide has a molecular weight of 184.24 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methoxy-N,3-dimethylbutanamide is sourced from PubChem (CID 103020144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).