1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide

C14H31NO5 — CID 22034975

IUPAC1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide
SMILESCCOC(C)OCC.COC(CNC(=O)C(C)C)OC
InChIInChI=1S/C8H17NO3.C6H14O2/c1-6(2)8(10)9-5-7(11-3)12-4;1-4-7-6(3)8-5-2/h6-7H,5H2,1-4H3,(H,9,10);6H,4-5H2,1-3H3
InChIKeyCBLHAYVFRLGLAP-UHFFFAOYSA-N
MW293.40 g/mol
LogP1.78
Rot. Bonds9

About 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide

1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide (PubChem CID 22034975) has the molecular formula C14H31NO5 and a molecular weight of 293.40 g/mol. Its IUPAC name is 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide.

Molecular Properties

Compound Name1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide
PubChem CID22034975
Molecular FormulaC14H31NO5
Molecular Weight293.40 g/mol
Exact Mass293.22
IUPAC Name1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide
SMILESCCOC(C)OCC.COC(CNC(=O)C(C)C)OC
InChIInChI=1S/C8H17NO3.C6H14O2/c1-6(2)8(10)9-5-7(11-3)12-4;1-4-7-6(3)8-5-2/h6-7H,5H2,1-4H3,(H,9,10);6H,4-5H2,1-3H3
InChIKeyCBLHAYVFRLGLAP-UHFFFAOYSA-N
XLogP1.78
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide?
The IUPAC name of 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide (CID 22034975) is 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide.
What is the SMILES notation for 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide?
The canonical SMILES for 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide is CCOC(C)OCC.COC(CNC(=O)C(C)C)OC.
What is the InChIKey of 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide?
The InChIKey is CBLHAYVFRLGLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3.C6H14O2/c1-6(2)8(10)9-5-7(11-3)12-4;1-4-7-6(3)8-5-2/h6-7H,5H2,1-4H3,(H,9,10);6H,4-5H2,1-3H3.
What are the key properties of 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide?
1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide has a molecular weight of 293.40 g/mol, XLogP of 1.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxyethane;N-(2,2-dimethoxyethyl)-2-methylpropanamide is sourced from PubChem (CID 22034975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).