N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide

C18H20N4O — CID 53051719

IUPACN-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
SMILESCCCn1nnc2cc(C(=O)Nc3ccccc3CC)ccc21
InChIInChI=1S/C18H20N4O/c1-3-11-22-17-10-9-14(12-16(17)20-21-22)18(23)19-15-8-6-5-7-13(15)4-2/h5-10,12H,3-4,11H2,1-2H3,(H,19,23)
InChIKeyBBVXELWFIRRUFA-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.66
Rot. Bonds5

About N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide

N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide (PubChem CID 53051719) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
PubChem CID53051719
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC NameN-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide
SMILESCCCn1nnc2cc(C(=O)Nc3ccccc3CC)ccc21
InChIInChI=1S/C18H20N4O/c1-3-11-22-17-10-9-14(12-16(17)20-21-22)18(23)19-15-8-6-5-7-13(15)4-2/h5-10,12H,3-4,11H2,1-2H3,(H,19,23)
InChIKeyBBVXELWFIRRUFA-UHFFFAOYSA-N
XLogP3.66
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(2-fluorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051721
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
N-(3-chlorophenyl)-1-propylbenzotriazole-5-carboxamide
CID 53051706
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
ethyl 3-[(1-propylbenzotriazole-5-carbonyl)amino]benzoate
CID 53051718
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-[2-[[(2S)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996053
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-1-ethylbenzotriazole-5-carboxamide
CID 39996052
2-[4-(1-ethylbenzotriazole-5-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022419
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide (CID 53051719) is N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide is CCCn1nnc2cc(C(=O)Nc3ccccc3CC)ccc21.
What is the InChIKey of N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide?
The InChIKey is BBVXELWFIRRUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-11-22-17-10-9-14(12-16(17)20-21-22)18(23)19-15-8-6-5-7-13(15)4-2/h5-10,12H,3-4,11H2,1-2H3,(H,19,23).
What are the key properties of N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide?
N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-propylbenzotriazole-5-carboxamide is sourced from PubChem (CID 53051719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).