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

C12H24N2O2 — CID 114632493

IUPACN-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-4-6-16-7-5-11(15)14-10-8-9(13)12(10,2)3/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyMJIVWZQTBGYPBH-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.05
Rot. Bonds6

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

N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide (PubChem CID 114632493) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide
PubChem CID114632493
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1CC(N)C1(C)C
InChIInChI=1S/C12H24N2O2/c1-4-6-16-7-5-11(15)14-10-8-9(13)12(10,2)3/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyMJIVWZQTBGYPBH-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.05
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-propoxypropanamide?
The IUPAC name of N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide (CID 114632493) is N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide?
The canonical SMILES for N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide is CCCOCCC(=O)NC1CC(N)C1(C)C.
What is the InChIKey of N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide?
The InChIKey is MJIVWZQTBGYPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-4-6-16-7-5-11(15)14-10-8-9(13)12(10,2)3/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide?
N-(3-amino-2,2-dimethylcyclobutyl)-3-propoxypropanamide has a molecular weight of 228.34 g/mol, XLogP of 1.05, 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-dimethylcyclobutyl)-3-propoxypropanamide is sourced from PubChem (CID 114632493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).