4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide

C12H24N2O3 — CID 113280789

IUPAC4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide
SMILESCCOCCN(CC)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-3-14(7-10-16-4-2)11(15)12(13)5-8-17-9-6-12/h3-10,13H2,1-2H3
InChIKeyYXWPZLISRWFMGJ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.38
Rot. Bonds6

About 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide

4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide (PubChem CID 113280789) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide
PubChem CID113280789
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide
SMILESCCOCCN(CC)C(=O)C1(N)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-3-14(7-10-16-4-2)11(15)12(13)5-8-17-9-6-12/h3-10,13H2,1-2H3
InChIKeyYXWPZLISRWFMGJ-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 107479263
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 113280725
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide
CID 113280795
4-amino-N-[2-(2,2-difluoroethoxy)ethyl]oxane-4-carboxamide
CID 114127402
4-amino-N-methyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294078
4-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294285
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294286
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294295
4-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294297
4-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294300
4-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide
CID 115294306
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 115294311

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide (CID 113280789) is 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide is CCOCCN(CC)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide?
The InChIKey is YXWPZLISRWFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-14(7-10-16-4-2)11(15)12(13)5-8-17-9-6-12/h3-10,13H2,1-2H3.
What are the key properties of 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide?
4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide has a molecular weight of 244.33 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-ethoxyethyl)-N-ethyloxane-4-carboxamide is sourced from PubChem (CID 113280789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).