3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide

C24H24N4O3 — CID 17220047

IUPAC3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1OC
InChIInChI=1S/C24H24N4O3/c1-15(2)16-5-9-19(10-6-16)28-26-20-11-8-18(14-21(20)27-28)25-24(29)17-7-12-22(30-3)23(13-17)31-4/h5-15H,1-4H3,(H,25,29)
InChIKeyCPMVVGIPQBZCNT-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.81
Rot. Bonds6

About 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide

3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 17220047) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
PubChem CID17220047
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1OC
InChIInChI=1S/C24H24N4O3/c1-15(2)16-5-9-19(10-6-16)28-26-20-11-8-18(14-21(20)27-28)25-24(29)17-7-12-22(30-3)23(13-17)31-4/h5-15H,1-4H3,(H,25,29)
InChIKeyCPMVVGIPQBZCNT-UHFFFAOYSA-N
XLogP4.81
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-fluorophenyl)benzotriazol-5-yl]-3,4-dimethoxybenzamide
CID 5035579
3,5-dimethyl-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220018
2-(4-methoxyphenoxy)-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]acetamide
CID 17220163
3-bromo-4-methoxy-N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17117341
3-bromo-N-[2-(3-chlorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 19577633
4-methoxy-3-nitro-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 1095350
N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 17220209
4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
2-iodo-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide
CID 17220026
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide (CID 17220047) is 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide is COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is CPMVVGIPQBZCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15(2)16-5-9-19(10-6-16)28-26-20-11-8-18(14-21(20)27-28)25-24(29)17-7-12-22(30-3)23(13-17)31-4/h5-15H,1-4H3,(H,25,29).
What are the key properties of 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide?
3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 416.48 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-(4-propan-2-ylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 17220047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).