N-ethyl-4-(propylamino)oxane-4-carboxamide

C11H22N2O2 — CID 147346977

IUPACN-ethyl-4-(propylamino)oxane-4-carboxamide
SMILESCCCNC1(C(=O)NCC)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-3-7-13-11(10(14)12-4-2)5-8-15-9-6-11/h13H,3-9H2,1-2H3,(H,12,14)
InChIKeyDEPSLHYDAYPQIS-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.67
Rot. Bonds5

About N-ethyl-4-(propylamino)oxane-4-carboxamide

N-ethyl-4-(propylamino)oxane-4-carboxamide (PubChem CID 147346977) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-ethyl-4-(propylamino)oxane-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-(propylamino)oxane-4-carboxamide
PubChem CID147346977
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC NameN-ethyl-4-(propylamino)oxane-4-carboxamide
SMILESCCCNC1(C(=O)NCC)CCOCC1
InChIInChI=1S/C11H22N2O2/c1-3-7-13-11(10(14)12-4-2)5-8-15-9-6-11/h13H,3-9H2,1-2H3,(H,12,14)
InChIKeyDEPSLHYDAYPQIS-UHFFFAOYSA-N
XLogP0.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(propylamino)oxane-4-carboxamide?
The IUPAC name of N-ethyl-4-(propylamino)oxane-4-carboxamide (CID 147346977) is N-ethyl-4-(propylamino)oxane-4-carboxamide.
What is the SMILES notation for N-ethyl-4-(propylamino)oxane-4-carboxamide?
The canonical SMILES for N-ethyl-4-(propylamino)oxane-4-carboxamide is CCCNC1(C(=O)NCC)CCOCC1.
What is the InChIKey of N-ethyl-4-(propylamino)oxane-4-carboxamide?
The InChIKey is DEPSLHYDAYPQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-7-13-11(10(14)12-4-2)5-8-15-9-6-11/h13H,3-9H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-4-(propylamino)oxane-4-carboxamide?
N-ethyl-4-(propylamino)oxane-4-carboxamide has a molecular weight of 214.31 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(propylamino)oxane-4-carboxamide is sourced from PubChem (CID 147346977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).