4-[2-(diethylamino)ethylamino]oxane-4-carboxamide

C12H25N3O2 — CID 61004988

IUPAC4-[2-(diethylamino)ethylamino]oxane-4-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-15(4-2)8-7-14-12(11(13)16)5-9-17-10-6-12/h14H,3-10H2,1-2H3,(H2,13,16)
InChIKeyPUECRNLPMHQWLP-UHFFFAOYSA-N
MW243.35 g/mol
LogP-0.05
Rot. Bonds7

About 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide

4-[2-(diethylamino)ethylamino]oxane-4-carboxamide (PubChem CID 61004988) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide.

Molecular Properties

Compound Name4-[2-(diethylamino)ethylamino]oxane-4-carboxamide
PubChem CID61004988
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name4-[2-(diethylamino)ethylamino]oxane-4-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCOCC1
InChIInChI=1S/C12H25N3O2/c1-3-15(4-2)8-7-14-12(11(13)16)5-9-17-10-6-12/h14H,3-10H2,1-2H3,(H2,13,16)
InChIKeyPUECRNLPMHQWLP-UHFFFAOYSA-N
XLogP-0.05
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(Pyrrolidin-1-yl)oxane-4-carboxamide
CID 75511479
(2S)-N-ethyl-1-[4-(methylcarbamoyl)oxan-4-yl]pyrrolidine-2-carboxamide
CID 75411524
2-methyl-N-[[4-(2-methylbutanoylamino)oxan-4-yl]methyl]butanamide
CID 56790354
4-(propan-2-ylamino)-N-(1,1,1-trifluoropropan-2-yl)oxane-4-carboxamide
CID 146476352
4-(2,2,2-Trifluoroethylamino)oxane-4-carboxamide
CID 60997365
4-amino-N-ethyl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 113280725
4-amino-N-(4,4,4-trifluorobutyl)oxane-4-carboxamide
CID 113327474
4-amino-N-(4,4,4-trifluorobutan-2-yl)oxane-4-carboxamide
CID 114130838
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-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]oxane-4-carboxamide
CID 115294306

Frequently Asked Questions

What is the IUPAC name of 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide?
The IUPAC name of 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide (CID 61004988) is 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide.
What is the SMILES notation for 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide?
The canonical SMILES for 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide is CCN(CC)CCNC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide?
The InChIKey is PUECRNLPMHQWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-3-15(4-2)8-7-14-12(11(13)16)5-9-17-10-6-12/h14H,3-10H2,1-2H3,(H2,13,16).
What are the key properties of 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide?
4-[2-(diethylamino)ethylamino]oxane-4-carboxamide has a molecular weight of 243.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide is sourced from PubChem (CID 61004988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).