4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide

C18H30N2O3 — CID 46993331

IUPAC4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCC2CCCCO2)cc1CN(CC)CC
InChIInChI=1S/C18H30N2O3/c1-4-16-14(13-20(5-2)6-3)11-17(23-16)18(21)19-12-15-9-7-8-10-22-15/h11,15H,4-10,12-13H2,1-3H3,(H,19,21)
InChIKeyKHRDAEXHBPENIO-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.98
Rot. Bonds8

About 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide

4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide (PubChem CID 46993331) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide
PubChem CID46993331
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide
SMILESCCc1oc(C(=O)NCC2CCCCO2)cc1CN(CC)CC
InChIInChI=1S/C18H30N2O3/c1-4-16-14(13-20(5-2)6-3)11-17(23-16)18(21)19-12-15-9-7-8-10-22-15/h11,15H,4-10,12-13H2,1-3H3,(H,19,21)
InChIKeyKHRDAEXHBPENIO-UHFFFAOYSA-N
XLogP2.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-(oxolan-2-ylmethyl)-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 46983992
5-ethyl-N-(oxolan-2-ylmethyl)thiophene-3-carboxamide
CID 17191153
3-bromo-5-methyl-N-(oxan-2-ylmethyl)benzamide
CID 104852566
3-N-(2,6-diethylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109053055
3-amino-N-(oxan-2-ylmethyl)benzamide
CID 55013985
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
4,5-difluoro-2-methyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 7391199
3-[[[amino(diethylamino)methylidene]amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 111082895
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
3,5-difluoro-4-(methylamino)-N-(oxan-2-ylmethyl)benzamide
CID 63185334
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
2-[benzyl(methyl)amino]-N-[[(2R)-oxan-2-yl]methyl]acetamide
CID 94216554

Frequently Asked Questions

What is the IUPAC name of 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide (CID 46993331) is 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide is CCc1oc(C(=O)NCC2CCCCO2)cc1CN(CC)CC.
What is the InChIKey of 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is KHRDAEXHBPENIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-4-16-14(13-20(5-2)6-3)11-17(23-16)18(21)19-12-15-9-7-8-10-22-15/h11,15H,4-10,12-13H2,1-3H3,(H,19,21).
What are the key properties of 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide?
4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylaminomethyl)-5-ethyl-N-(oxan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 46993331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).