N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide

C12H24N2O3 — CID 66197038

IUPACN-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1C(N)CC1OCC
InChIInChI=1S/C12H24N2O3/c1-3-6-16-7-5-11(15)14-12-9(13)8-10(12)17-4-2/h9-10,12H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyDPHLSWXCIKLVIT-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.42
Rot. Bonds8

About N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide

N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide (PubChem CID 66197038) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide
PubChem CID66197038
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1C(N)CC1OCC
InChIInChI=1S/C12H24N2O3/c1-3-6-16-7-5-11(15)14-12-9(13)8-10(12)17-4-2/h9-10,12H,3-8,13H2,1-2H3,(H,14,15)
InChIKeyDPHLSWXCIKLVIT-UHFFFAOYSA-N
XLogP0.42
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide?
The IUPAC name of N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide (CID 66197038) is N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide.
What is the SMILES notation for N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide?
The canonical SMILES for N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide is CCCOCCC(=O)NC1C(N)CC1OCC.
What is the InChIKey of N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide?
The InChIKey is DPHLSWXCIKLVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-6-16-7-5-11(15)14-12-9(13)8-10(12)17-4-2/h9-10,12H,3-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide?
N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxycyclobutyl)-3-propoxypropanamide is sourced from PubChem (CID 66197038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).