N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide

C21H25N5O — CID 18167141

IUPACN-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-3-25(4-2)20(17-8-6-5-7-9-17)14-23-21(27)18-10-12-19(13-11-18)26-16-22-15-24-26/h5-13,15-16,20H,3-4,14H2,1-2H3,(H,23,27)
InChIKeyUUMTYQMTSPFHKY-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.08
Rot. Bonds8

About N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 18167141) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID18167141
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC NameN-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1
InChIInChI=1S/C21H25N5O/c1-3-25(4-2)20(17-8-6-5-7-9-17)14-23-21(27)18-10-12-19(13-11-18)26-16-22-15-24-26/h5-13,15-16,20H,3-4,14H2,1-2H3,(H,23,27)
InChIKeyUUMTYQMTSPFHKY-UHFFFAOYSA-N
XLogP3.08
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)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-(2-hydroxy-3-phenylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 111102425
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 94800245
4-cyano-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 46654174
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
N-[2-(diethylamino)-2-phenylethyl]-4-(methylsulfanylmethyl)benzamide
CID 18167081
4-(acetamidomethyl)-N-[2-(diethylamino)-2-phenylethyl]benzamide
CID 18167149
1-benzyl-N-[2-(diethylamino)-2-phenylethyl]pyrazole-4-carboxamide
CID 18167165
N-(3-phenylsulfanylpropyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 27163926
[(1S)-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate
CID 39954822
N-[2-(diethylamino)-2-phenylethyl]pyridine-2-carboxamide
CID 42917068
N,N-diethyl-2-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]benzamide
CID 86835460
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51126896

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 18167141) is N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide is CCN(CC)C(CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is UUMTYQMTSPFHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-25(4-2)20(17-8-6-5-7-9-17)14-23-21(27)18-10-12-19(13-11-18)26-16-22-15-24-26/h5-13,15-16,20H,3-4,14H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 363.47 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-phenylethyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 18167141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).