N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide

C11H24N2O3 — CID 58123003

IUPACN-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide
SMILESCCOC(CN(CCN)C(=O)CC)OCC
InChIInChI=1S/C11H24N2O3/c1-4-10(14)13(8-7-12)9-11(15-5-2)16-6-3/h11H,4-9,12H2,1-3H3
InChIKeyWJFUOMUSTOXNJY-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.58
Rot. Bonds9

About N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide

N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide (PubChem CID 58123003) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide
PubChem CID58123003
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC NameN-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide
SMILESCCOC(CN(CCN)C(=O)CC)OCC
InChIInChI=1S/C11H24N2O3/c1-4-10(14)13(8-7-12)9-11(15-5-2)16-6-3/h11H,4-9,12H2,1-3H3
InChIKeyWJFUOMUSTOXNJY-UHFFFAOYSA-N
XLogP0.58
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide (CID 58123003) is N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide is CCOC(CN(CCN)C(=O)CC)OCC.
What is the InChIKey of N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide?
The InChIKey is WJFUOMUSTOXNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-10(14)13(8-7-12)9-11(15-5-2)16-6-3/h11H,4-9,12H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide?
N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide has a molecular weight of 232.32 g/mol, XLogP of 0.58, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2,2-diethoxyethyl)propanamide is sourced from PubChem (CID 58123003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).