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

Analyze 4-[2-(diethylamino)ethylamino]oxane-4-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

1-[2-(diethylamino)ethylamino]cyclopropane-1-carboxamide
CID 104577737
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401
4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
CID 65074848
2-[2-(diethylamino)ethylamino]-1,3-dihydroindene-2-carboxamide
CID 61005096
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
CID 62389636
4-(2-azidoethylamino)oxane-4-carboxamide
CID 66190843
1-[2-(dimethylamino)ethylamino]cyclobutane-1-carboxamide
CID 60996759
methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
[4-[2-(diethylamino)ethylamino]oxepan-4-yl]methanol
CID 65080769
ethyl 4-[2-(dimethylamino)ethylamino]oxepane-4-carboxylate
CID 65079017
1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide
CID 64755549
N-ethyl-4-(propylamino)oxane-4-carboxamide
CID 147346977

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).