4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide

C14H23N3O3 — CID 115619318

IUPAC4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-3-17(4-2)12(18)5-8-16-13(19)14(11-15)6-9-20-10-7-14/h3-10H2,1-2H3,(H,16,19)
InChIKeyUYVDVFRCJILJMR-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.68
Rot. Bonds6

About 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide

4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide (PubChem CID 115619318) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
PubChem CID115619318
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
SMILESCCN(CC)C(=O)CCNC(=O)C1(C#N)CCOCC1
InChIInChI=1S/C14H23N3O3/c1-3-17(4-2)12(18)5-8-16-13(19)14(11-15)6-9-20-10-7-14/h3-10H2,1-2H3,(H,16,19)
InChIKeyUYVDVFRCJILJMR-UHFFFAOYSA-N
XLogP0.68
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
CID 115619309
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 55207999
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
4-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]oxane-4-carboxamide
CID 113233756
4-cyano-N-(3-ethylpentan-3-yl)oxane-4-carboxamide
CID 65043131
4-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)oxane-4-carboxamide
CID 79377811
4-cyano-N-[2-(2-hydroxyethyl)pentyl]oxane-4-carboxamide
CID 103725573
1-cyano-N-[3-oxo-3-(propylamino)propyl]cyclopentane-1-carboxamide
CID 47354865
1-cyano-N-[3-(diethylamino)propyl]cyclobutane-1-carboxamide
CID 78994350

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide (CID 115619318) is 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide is CCN(CC)C(=O)CCNC(=O)C1(C#N)CCOCC1.
What is the InChIKey of 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide?
The InChIKey is UYVDVFRCJILJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-17(4-2)12(18)5-8-16-13(19)14(11-15)6-9-20-10-7-14/h3-10H2,1-2H3,(H,16,19).
What are the key properties of 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide?
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide is sourced from PubChem (CID 115619318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).