4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide

C20H24N4O — CID 25234536

IUPAC4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C20H24N4O/c1-12(2)21-20(25)16-7-6-14(5)17(10-16)15-8-9-19-18(11-15)22-23-24(19)13(3)4/h6-13H,1-5H3,(H,21,25)
InChIKeyHTLPXAUXKRSEDR-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.13
Rot. Bonds4

About 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide

4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide (PubChem CID 25234536) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide
PubChem CID25234536
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide
SMILESCc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(c1)nnn2C(C)C
InChIInChI=1S/C20H24N4O/c1-12(2)21-20(25)16-7-6-14(5)17(10-16)15-8-9-19-18(11-15)22-23-24(19)13(3)4/h6-13H,1-5H3,(H,21,25)
InChIKeyHTLPXAUXKRSEDR-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051587
4-methyl-3-[1-(2-methylphenyl)phthalazin-6-yl]-N-propan-2-ylbenzamide
CID 67020506
N-(4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051601
N-(2-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051599
N-(4-ethylphenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051598
N-(2-chloro-4-fluorophenyl)-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051638
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-N-methyl-1-propan-2-ylbenzotriazole-5-carboxamide
CID 46296466
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
1-[2-(phenylcarbamoylamino)ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121084
5,6-dimethyl-1-propan-2-ylbenzotriazole
CID 59167826
ethyl 4-[2-[5-(propan-2-ylcarbamoyl)benzotriazol-1-yl]ethylcarbamoylamino]benzoate
CID 53121107
1-[2-[(4-bromophenyl)carbamoylamino]ethyl]-N-propan-2-ylbenzotriazole-5-carboxamide
CID 53121111

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide?
The IUPAC name of 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide (CID 25234536) is 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide is Cc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(c1)nnn2C(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide?
The InChIKey is HTLPXAUXKRSEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-12(2)21-20(25)16-7-6-14(5)17(10-16)15-8-9-19-18(11-15)22-23-24(19)13(3)4/h6-13H,1-5H3,(H,21,25).
What are the key properties of 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide?
4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide has a molecular weight of 336.44 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-3-(1-propan-2-ylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 25234536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).