N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide

C11H22N2O2 — CID 114632453

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C11H22N2O2/c1-4-15-6-5-10(14)13-9-7-8(12)11(9,2)3/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyPJYXJKMVDZLTDW-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.65
Rot. Bonds5

About N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide

N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide (PubChem CID 114632453) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide
PubChem CID114632453
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide
SMILESCCOCCC(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C11H22N2O2/c1-4-15-6-5-10(14)13-9-7-8(12)11(9,2)3/h8-9H,4-7,12H2,1-3H3,(H,13,14)
InChIKeyPJYXJKMVDZLTDW-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.65
H-Bond Donors ≤ 52
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-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide (CID 114632453) is N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide is CCOCCC(=O)NC1CC(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide?
The InChIKey is PJYXJKMVDZLTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-15-6-5-10(14)13-9-7-8(12)11(9,2)3/h8-9H,4-7,12H2,1-3H3,(H,13,14).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide?
N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide has a molecular weight of 214.31 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylcyclobutyl)-3-ethoxypropanamide is sourced from PubChem (CID 114632453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).