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

C12H24N2O2 — CID 79711591

IUPACN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)9(13)12(3,4)10(11)14-8(15)6-7-16-5/h9-10H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyQFNKDYPGIWJKOM-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds4

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

N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide (PubChem CID 79711591) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide
PubChem CID79711591
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide
SMILESCOCCC(=O)NC1C(C)(C)C(N)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-11(2)9(13)12(3,4)10(11)14-8(15)6-7-16-5/h9-10H,6-7,13H2,1-5H3,(H,14,15)
InChIKeyQFNKDYPGIWJKOM-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide?
The IUPAC name of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide (CID 79711591) is N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide.
What is the SMILES notation for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide?
The canonical SMILES for N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide is COCCC(=O)NC1C(C)(C)C(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide?
The InChIKey is QFNKDYPGIWJKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2)9(13)12(3,4)10(11)14-8(15)6-7-16-5/h9-10H,6-7,13H2,1-5H3,(H,14,15).
What are the key properties of N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide?
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-methoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.90, 4 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-methoxypropanamide is sourced from PubChem (CID 79711591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).