N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

C20H25N5O2 — CID 51126896

IUPACN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccco1
InChIInChI=1S/C20H25N5O2/c1-3-24(4-2)18(19-6-5-11-27-19)12-22-20(26)17-9-7-16(8-10-17)13-25-15-21-14-23-25/h5-11,14-15,18H,3-4,12-13H2,1-2H3,(H,22,26)
InChIKeyZPQDLBDLPGQKOF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.73
Rot. Bonds9

About N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 51126896) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID51126896
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccco1
InChIInChI=1S/C20H25N5O2/c1-3-24(4-2)18(19-6-5-11-27-19)12-22-20(26)17-9-7-16(8-10-17)13-25-15-21-14-23-25/h5-11,14-15,18H,3-4,12-13H2,1-2H3,(H,22,26)
InChIKeyZPQDLBDLPGQKOF-UHFFFAOYSA-N
XLogP2.73
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide 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

N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 32634705
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(methylsulfamoyl)benzamide
CID 47082106
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 18167141
4-chloro-N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 138034235
4-(diethylaminomethyl)-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide
CID 46426488
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 75479462
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 95167728
4-(diethylaminomethyl)-N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55867992
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(tetrazol-1-yl)benzamide
CID 51126901
N-[(1R)-1-(furan-2-yl)ethyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 42102024
4-(1,2,4-triazol-1-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 18145582
N-[2-(4-methylpiperidin-1-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 47082081

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 51126896) is N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is CCN(CC)C(CNC(=O)c1ccc(Cn2cncn2)cc1)c1ccco1.
What is the InChIKey of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is ZPQDLBDLPGQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-24(4-2)18(19-6-5-11-27-19)12-22-20(26)17-9-7-16(8-10-17)13-25-15-21-14-23-25/h5-11,14-15,18H,3-4,12-13H2,1-2H3,(H,22,26).
What are the key properties of N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 51126896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).