N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide

C13H25N2O4Si — CID 78060548

IUPAC—
SMILESCCN(CC)C(=O)COCCOCC(=O)NCCC[Si]
InChIInChI=1S/C13H25N2O4Si/c1-3-15(4-2)13(17)11-19-8-7-18-10-12(16)14-6-5-9-20/h3-11H2,1-2H3,(H,14,16)
InChIKeyKECBMRMUBHJKHA-UHFFFAOYSA-N
MW301.44 g/mol
LogP-0.02
Rot. Bonds12

About N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide

N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide (PubChem CID 78060548) has the molecular formula C13H25N2O4Si and a molecular weight of 301.44 g/mol.

Molecular Properties

Compound NameN,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide
PubChem CID78060548
Molecular FormulaC13H25N2O4Si
Molecular Weight301.44 g/mol
Exact Mass301.16
IUPAC Name—
SMILESCCN(CC)C(=O)COCCOCC(=O)NCCC[Si]
InChIInChI=1S/C13H25N2O4Si/c1-3-15(4-2)13(17)11-19-8-7-18-10-12(16)14-6-5-9-20/h3-11H2,1-2H3,(H,14,16)
InChIKeyKECBMRMUBHJKHA-UHFFFAOYSA-N
XLogP-0.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[2-(diethylcarbamoylamino)ethyl]-2-(2-methoxyethoxy)acetamide
CID 108574836
N-[2-[[2-[2-(diethylamino)-2-oxoethoxy]acetyl]amino]ethyl]prop-2-enamide
CID 177435341
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-(2-ethoxyethoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119430415
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
N-[2-[2-[2-[2-[2-[2-(dimethylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 134469535
2-[2-(butylamino)-2-oxoethoxy]ethyl nitrate;ethane
CID 145161931
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664

Frequently Asked Questions

What is the IUPAC name of N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide?
The IUPAC name of N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide (CID 78060548) is not available.
What is the SMILES notation for N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide?
The canonical SMILES for N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide is CCN(CC)C(=O)COCCOCC(=O)NCCC[Si].
What is the InChIKey of N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide?
The InChIKey is KECBMRMUBHJKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N2O4Si/c1-3-15(4-2)13(17)11-19-8-7-18-10-12(16)14-6-5-9-20/h3-11H2,1-2H3,(H,14,16).
What are the key properties of N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide?
N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide has a molecular weight of 301.44 g/mol, XLogP of -0.02, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-Diethyl-6-oxo-8,11-dioxa-5-aza-1-silatridecan-13-amide is sourced from PubChem (CID 78060548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).