N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide

C21H24N4O — CID 86925513

IUPACN-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCCc1ccc(CN(C(=O)c2ccc3c(c2)nnn3CC)C2CC2)cc1
InChIInChI=1S/C21H24N4O/c1-3-15-5-7-16(8-6-15)14-24(18-10-11-18)21(26)17-9-12-20-19(13-17)22-23-25(20)4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3
InChIKeyVWYLYHJSNOWCLQ-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.82
Rot. Bonds6

About N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide

N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide (PubChem CID 86925513) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide
PubChem CID86925513
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide
SMILESCCc1ccc(CN(C(=O)c2ccc3c(c2)nnn3CC)C2CC2)cc1
InChIInChI=1S/C21H24N4O/c1-3-15-5-7-16(8-6-15)14-24(18-10-11-18)21(26)17-9-12-20-19(13-17)22-23-25(20)4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3
InChIKeyVWYLYHJSNOWCLQ-UHFFFAOYSA-N
XLogP3.82
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-cyclopropyl-1-methylbenzotriazole-5-carboxamide
CID 155945933
(4-ethylphenyl) 1-ethylbenzotriazole-5-carboxylate
CID 18082407
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 1-ethylbenzotriazole-5-carboxylate
CID 7805898
[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 7805959
[1-(4-ethylphenyl)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 18083147
1-ethyl-N-(2-hydroxyethyl)-N-methylbenzotriazole-5-carboxamide
CID 60740881
1-ethyl-N-[(1R,2R)-2-methylcyclohexyl]benzotriazole-5-carboxamide
CID 26800374
N-benzyl-N-cyclopropyl-2,3-diethylquinoxaline-6-carboxamide
CID 30712262
(1-ethylbenzotriazol-5-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60958042
(1-ethylbenzotriazol-5-yl)-[(2S)-2-[(2R)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340797
(1-ethylbenzotriazol-5-yl)-[(2R)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95340794
1-ethyl-N-[2-[(2S)-oxolan-2-yl]ethyl]benzotriazole-5-carboxamide
CID 30894759

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide (CID 86925513) is N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide is CCc1ccc(CN(C(=O)c2ccc3c(c2)nnn3CC)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide?
The InChIKey is VWYLYHJSNOWCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-15-5-7-16(8-6-15)14-24(18-10-11-18)21(26)17-9-12-20-19(13-17)22-23-25(20)4-2/h5-9,12-13,18H,3-4,10-11,14H2,1-2H3.
What are the key properties of N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide?
N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-ethyl-N-[(4-ethylphenyl)methyl]benzotriazole-5-carboxamide is sourced from PubChem (CID 86925513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).