N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide

C23H22N4O2 — CID 17219724

IUPACN-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1
InChIInChI=1S/C23H22N4O2/c1-15(2)29-20-6-4-5-17(13-20)23(28)24-18-9-12-21-22(14-18)26-27(25-21)19-10-7-16(3)8-11-19/h4-15H,1-3H3,(H,24,28)
InChIKeyMNWAMZIOZXMFCM-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.77
Rot. Bonds5

About N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide

N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide (PubChem CID 17219724) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
PubChem CID17219724
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
SMILESCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1
InChIInChI=1S/C23H22N4O2/c1-15(2)29-20-6-4-5-17(13-20)23(28)24-18-9-12-21-22(14-18)26-27(25-21)19-10-7-16(3)8-11-19/h4-15H,1-3H3,(H,24,28)
InChIKeyMNWAMZIOZXMFCM-UHFFFAOYSA-N
XLogP4.77
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-nitrobenzamide
CID 4264329
3-chloro-4-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 17219708
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220018
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3-propoxybenzamide
CID 17219968
N-[2-(3-chlorophenyl)benzotriazol-5-yl]-3-methoxybenzamide
CID 3117312
3-methyl-N-[2-(4-methylphenyl)benzotriazol-5-yl]butanamide
CID 807150
4-methyl-N-(3-propan-2-yloxyphenyl)benzamide
CID 2989293
3,5-dimethoxy-N-[[2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 1276112
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide?
The IUPAC name of N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide (CID 17219724) is N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide?
The canonical SMILES for N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide is Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide?
The InChIKey is MNWAMZIOZXMFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-15(2)29-20-6-4-5-17(13-20)23(28)24-18-9-12-21-22(14-18)26-27(25-21)19-10-7-16(3)8-11-19/h4-15H,1-3H3,(H,24,28).
What are the key properties of N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide?
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide has a molecular weight of 386.46 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide is sourced from PubChem (CID 17219724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).