N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide

C14H28N2O2 — CID 79711025

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-6-8-18-9-7-10(17)16-12-13(2,3)11(15)14(12,4)5/h11-12H,6-9,15H2,1-5H3,(H,16,17)
InChIKeyQALCXGZHOZRPMO-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.68
Rot. Bonds6

About N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide (PubChem CID 79711025) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide
PubChem CID79711025
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C14H28N2O2/c1-6-8-18-9-7-10(17)16-12-13(2,3)11(15)14(12,4)5/h11-12H,6-9,15H2,1-5H3,(H,16,17)
InChIKeyQALCXGZHOZRPMO-UHFFFAOYSA-N
XLogP1.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.68
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-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide (CID 79711025) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide is CCCOCCC(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide?
The InChIKey is QALCXGZHOZRPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-8-18-9-7-10(17)16-12-13(2,3)11(15)14(12,4)5/h11-12H,6-9,15H2,1-5H3,(H,16,17).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide has a molecular weight of 256.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-propoxypropanamide is sourced from PubChem (CID 79711025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).