N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide

C11H24N2O3 — CID 79547706

IUPACN-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC(OCC)OCC
InChIInChI=1S/C11H24N2O3/c1-4-12-8-7-10(14)13-9-11(15-5-2)16-6-3/h11-12H,4-9H2,1-3H3,(H,13,14)
InChIKeySXOAWXLMOMPVEA-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.50
Rot. Bonds10

About N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide

N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide (PubChem CID 79547706) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
PubChem CID79547706
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC NameN-(2,2-diethoxyethyl)-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCC(OCC)OCC
InChIInChI=1S/C11H24N2O3/c1-4-12-8-7-10(14)13-9-11(15-5-2)16-6-3/h11-12H,4-9H2,1-3H3,(H,13,14)
InChIKeySXOAWXLMOMPVEA-UHFFFAOYSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,2-diethoxyethyl)pentanediamide
CID 141334867
N-(2,2-diethoxyethyl)butanamide
CID 79548415
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
2-chloro-N-(2,2-diethoxyethyl)acetamide
CID 12663166
N-(2,2-diethoxyethyl)hexanamide
CID 79547284
5-amino-N-(2,2-diethoxyethyl)pentanamide
CID 79547358
3-[3-(ethylamino)propanoylamino]-2-methylpropanoic acid
CID 62836532
(2S)-3-[3-(ethylamino)propanoylamino]-2-hydroxypropanoic acid
CID 107835994
6-amino-N-(2,2-diethoxyethyl)-4-methylhexanamide
CID 79547447
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
3-(ethylamino)-N-(2-ethylhexyl)propanamide
CID 62834599
2-(1-aminocyclobutyl)-N-(2,2-diethoxyethyl)acetamide
CID 79853724

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide (CID 79547706) is N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide is CCNCCC(=O)NCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide?
The InChIKey is SXOAWXLMOMPVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-4-12-8-7-10(14)13-9-11(15-5-2)16-6-3/h11-12H,4-9H2,1-3H3,(H,13,14).
What are the key properties of N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide?
N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide has a molecular weight of 232.32 g/mol, XLogP of 0.50, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-(ethylamino)propanamide is sourced from PubChem (CID 79547706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).