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

C12H26N2O3 — CID 79548151

IUPACN-(2,2-diethoxyethyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCC(OCC)OCC
InChIInChI=1S/C12H26N2O3/c1-5-13-10(4)8-11(15)14-9-12(16-6-2)17-7-3/h10,12-13H,5-9H2,1-4H3,(H,14,15)
InChIKeyCBOWAYLHVPCQFS-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.89
Rot. Bonds10

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

N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide (PubChem CID 79548151) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-(ethylamino)butanamide
PubChem CID79548151
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC NameN-(2,2-diethoxyethyl)-3-(ethylamino)butanamide
SMILESCCNC(C)CC(=O)NCC(OCC)OCC
InChIInChI=1S/C12H26N2O3/c1-5-13-10(4)8-11(15)14-9-12(16-6-2)17-7-3/h10,12-13H,5-9H2,1-4H3,(H,14,15)
InChIKeyCBOWAYLHVPCQFS-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
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-(2,2-diethoxyethyl)-3-(ethylamino)butanamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide (CID 79548151) is N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide is CCNC(C)CC(=O)NCC(OCC)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide?
The InChIKey is CBOWAYLHVPCQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-5-13-10(4)8-11(15)14-9-12(16-6-2)17-7-3/h10,12-13H,5-9H2,1-4H3,(H,14,15).
What are the key properties of N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide?
N-(2,2-diethoxyethyl)-3-(ethylamino)butanamide has a molecular weight of 246.35 g/mol, XLogP of 0.89, 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)butanamide is sourced from PubChem (CID 79548151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).