N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide

C11H20N2O2 — CID 103020150

IUPACN-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide
SMILESCCCN(CC#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C11H20N2O2/c1-5-7-13(8-6-12)10(14)9-11(2,3)15-4/h5,7-9H2,1-4H3
InChIKeyAMDSYHHZJSWSGD-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds6

About N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide

N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide (PubChem CID 103020150) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide
PubChem CID103020150
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide
SMILESCCCN(CC#N)C(=O)CC(C)(C)OC
InChIInChI=1S/C11H20N2O2/c1-5-7-13(8-6-12)10(14)9-11(2,3)15-4/h5,7-9H2,1-4H3
InChIKeyAMDSYHHZJSWSGD-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
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-3-methyl-N-propylbutanamide?
The IUPAC name of N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide (CID 103020150) is N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide.
What is the SMILES notation for N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide?
The canonical SMILES for N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide is CCCN(CC#N)C(=O)CC(C)(C)OC.
What is the InChIKey of N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide?
The InChIKey is AMDSYHHZJSWSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-7-13(8-6-12)10(14)9-11(2,3)15-4/h5,7-9H2,1-4H3.
What are the key properties of N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide?
N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-3-methoxy-3-methyl-N-propylbutanamide is sourced from PubChem (CID 103020150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).