N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide

C11H20N2O2 — CID 103020211

IUPACN-(4-cyanobutyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCCCCC#N
InChIInChI=1S/C11H20N2O2/c1-11(2,15-3)9-10(14)13-8-6-4-5-7-12/h4-6,8-9H2,1-3H3,(H,13,14)
InChIKeyKIDDPUWHLMSALM-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.61
Rot. Bonds7

About N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide

N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide (PubChem CID 103020211) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-cyanobutyl)-3-methoxy-3-methylbutanamide
PubChem CID103020211
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-(4-cyanobutyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)NCCCCC#N
InChIInChI=1S/C11H20N2O2/c1-11(2,15-3)9-10(14)13-8-6-4-5-7-12/h4-6,8-9H2,1-3H3,(H,13,14)
InChIKeyKIDDPUWHLMSALM-UHFFFAOYSA-N
XLogP1.61
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide (CID 103020211) is N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)NCCCCC#N.
What is the InChIKey of N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide?
The InChIKey is KIDDPUWHLMSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-11(2,15-3)9-10(14)13-8-6-4-5-7-12/h4-6,8-9H2,1-3H3,(H,13,14).
What are the key properties of N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide?
N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide has a molecular weight of 212.29 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanobutyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103020211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).