3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide

C18H20N4O — CID 807150

IUPAC3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)CC(C)C)cc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-12(2)10-18(23)19-14-6-9-16-17(11-14)21-22(20-16)15-7-4-13(3)5-8-15/h4-9,11-12H,10H2,1-3H3,(H,19,23)
InChIKeyISCYUFUYUPJWIP-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.71
Rot. Bonds4

About 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide

3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide (PubChem CID 807150) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
PubChem CID807150
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)CC(C)C)cc3n2)cc1
InChIInChI=1S/C18H20N4O/c1-12(2)10-18(23)19-14-6-9-16-17(11-14)21-22(20-16)15-7-4-13(3)5-8-15/h4-9,11-12H,10H2,1-3H3,(H,19,23)
InChIKeyISCYUFUYUPJWIP-UHFFFAOYSA-N
XLogP3.71
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]propanamide
CID 17099668
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 17219939
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
(E)-N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 17219741
3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
CID 1121659
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220018
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17219708
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
N-[2-(4-ethylphenyl)benzotriazol-5-yl]pentanamide
CID 17219836
N-(2-phenylbenzotriazol-5-yl)pentanamide
CID 17219676
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide?
The IUPAC name of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide (CID 807150) is 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide?
The canonical SMILES for 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide is Cc1ccc(-n2nc3ccc(NC(=O)CC(C)C)cc3n2)cc1.
What is the InChIKey of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide?
The InChIKey is ISCYUFUYUPJWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-12(2)10-18(23)19-14-6-9-16-17(11-14)21-22(20-16)15-7-4-13(3)5-8-15/h4-9,11-12H,10H2,1-3H3,(H,19,23).
What are the key properties of 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide?
3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide has a molecular weight of 308.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide is sourced from PubChem (CID 807150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).