N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide

C17H22N2O2 — CID 47046081

IUPACN-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2ccoc2)c1
InChIInChI=1S/C17H22N2O2/c1-3-19(4-2)12-15-7-5-6-14(10-15)11-18-17(20)16-8-9-21-13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyAJBOBYQWQDTPSI-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.05
Rot. Bonds7

About N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide

N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide (PubChem CID 47046081) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
PubChem CID47046081
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide
SMILESCCN(CC)Cc1cccc(CNC(=O)c2ccoc2)c1
InChIInChI=1S/C17H22N2O2/c1-3-19(4-2)12-15-7-5-6-14(10-15)11-18-17(20)16-8-9-21-13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20)
InChIKeyAJBOBYQWQDTPSI-UHFFFAOYSA-N
XLogP3.05
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(furan-3-carbonylamino)methyl]benzoic acid
CID 60894235
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
1-benzyl-N-[[3-(diethylaminomethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155945718
N-[[3-(trifluoromethyl)phenyl]methyl]furan-3-carboxamide
CID 27515082
N-[[4-[(dimethylamino)methyl]phenyl]methyl]furan-3-carboxamide
CID 31544582
N-[2-[[3-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-3-fluorobenzamide
CID 78902086
N-[[3-(diethylaminomethyl)phenyl]methyl]-3-(diethylsulfamoyl)-4-methylbenzamide
CID 55769177
N-[[3-(diethylaminomethyl)phenyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703880
4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867992
N-[[3-(diethylaminomethyl)phenyl]methyl]ethanamine
CID 46785465
N-[[3-[[ethyl(propyl)amino]methyl]phenyl]methyl]acetamide
CID 143915548
3-(diethylaminomethyl)benzohydrazide
CID 63571195

Frequently Asked Questions

What is the IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide (CID 47046081) is N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide is CCN(CC)Cc1cccc(CNC(=O)c2ccoc2)c1.
What is the InChIKey of N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide?
The InChIKey is AJBOBYQWQDTPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19(4-2)12-15-7-5-6-14(10-15)11-18-17(20)16-8-9-21-13-16/h5-10,13H,3-4,11-12H2,1-2H3,(H,18,20).
What are the key properties of N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide?
N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(diethylaminomethyl)phenyl]methyl]furan-3-carboxamide is sourced from PubChem (CID 47046081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).