4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide

C24H24N4O — CID 36667910

IUPAC4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C24H24N4O/c1-2-3-17-27(21-9-5-4-6-10-21)24(29)20-15-13-19(14-16-20)18-28-23-12-8-7-11-22(23)25-26-28/h4-16H,2-3,17-18H2,1H3
InChIKeyFEHKGCXOUMCZEF-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.93
Rot. Bonds7

About 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide

4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide (PubChem CID 36667910) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide.

Molecular Properties

Compound Name4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
PubChem CID36667910
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide
SMILESCCCCN(C(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccccc1
InChIInChI=1S/C24H24N4O/c1-2-3-17-27(21-9-5-4-6-10-21)24(29)20-15-13-19(14-16-20)18-28-23-12-8-7-11-22(23)25-26-28/h4-16H,2-3,17-18H2,1H3
InChIKeyFEHKGCXOUMCZEF-UHFFFAOYSA-N
XLogP4.93
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-butyl-N-phenylbenzamide
CID 3934058
4-(benzotriazol-1-ylmethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methylbenzamide
CID 43057973
N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-phenylbenzamide
CID 55623499
4-(benzotriazol-1-ylmethyl)-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 43060750
4-(benzotriazol-1-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 17406064
[4-[[[4-(benzotriazol-1-ylmethyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 8948581
acetic acid;1-octylbenzotriazole
CID 175150004
N-butyl-1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridine-3-carboxamide
CID 8671308
[4-(benzotriazol-1-ylmethyl)phenyl] acetate
CID 89269393
N-(benzotriazol-1-ylmethyl)-N-benzylbenzamide
CID 3739588
4-(benzotriazol-1-ylmethyl)-N-(2-methylphenyl)benzamide
CID 8872279
4-(benzotriazol-1-ylmethyl)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]benzamide
CID 46455109

Frequently Asked Questions

What is the IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide?
The IUPAC name of 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide (CID 36667910) is 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide.
What is the SMILES notation for 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide?
The canonical SMILES for 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide is CCCCN(C(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccccc1.
What is the InChIKey of 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide?
The InChIKey is FEHKGCXOUMCZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-3-17-27(21-9-5-4-6-10-21)24(29)20-15-13-19(14-16-20)18-28-23-12-8-7-11-22(23)25-26-28/h4-16H,2-3,17-18H2,1H3.
What are the key properties of 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide?
4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide has a molecular weight of 384.48 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzotriazol-1-ylmethyl)-N-butyl-N-phenylbenzamide is sourced from PubChem (CID 36667910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).