4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide

C13H26N2O2 — CID 114119108

IUPAC4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
SMILESCCOC1CC(NC(=O)C(C)CCN)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-5-17-11-8-10(13(11,3)4)15-12(16)9(2)6-7-14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyNRMIUFQOZPXTPX-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.29
Rot. Bonds6

About 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide

4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide (PubChem CID 114119108) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
PubChem CID114119108
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide
SMILESCCOC1CC(NC(=O)C(C)CCN)C1(C)C
InChIInChI=1S/C13H26N2O2/c1-5-17-11-8-10(13(11,3)4)15-12(16)9(2)6-7-14/h9-11H,5-8,14H2,1-4H3,(H,15,16)
InChIKeyNRMIUFQOZPXTPX-UHFFFAOYSA-N
XLogP1.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide?
The IUPAC name of 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide (CID 114119108) is 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide.
What is the SMILES notation for 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide?
The canonical SMILES for 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide is CCOC1CC(NC(=O)C(C)CCN)C1(C)C.
What is the InChIKey of 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide?
The InChIKey is NRMIUFQOZPXTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-17-11-8-10(13(11,3)4)15-12(16)9(2)6-7-14/h9-11H,5-8,14H2,1-4H3,(H,15,16).
What are the key properties of 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide?
4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide has a molecular weight of 242.36 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxy-2,2-dimethylcyclobutyl)-2-methylbutanamide is sourced from PubChem (CID 114119108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).