4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

C24H24N4O2 — CID 29093821

IUPAC4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1
InChIInChI=1S/C24H24N4O2/c1-4-17(3)30-21-12-7-18(8-13-21)24(29)25-19-9-14-22-23(15-19)27-28(26-22)20-10-5-16(2)6-11-20/h5-15,17H,4H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeyRLHAIWIDQHEQCI-QGZVFWFLSA-N
MW400.48 g/mol
LogP5.16
Rot. Bonds6

About 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide

4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (PubChem CID 29093821) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
PubChem CID29093821
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1
InChIInChI=1S/C24H24N4O2/c1-4-17(3)30-21-12-7-18(8-13-21)24(29)25-19-9-14-22-23(15-19)27-28(26-22)20-10-5-16(2)6-11-20/h5-15,17H,4H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeyRLHAIWIDQHEQCI-QGZVFWFLSA-N
XLogP5.16
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)benzotriazol-5-yl]benzamide
CID 29093869
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936
4-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093951
N-[2-(4-methylphenyl)benzotriazol-5-yl]-3-propan-2-yloxybenzamide
CID 17219724
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094105
4-[(2R)-butan-2-yl]oxy-N-[2-(4-fluorophenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094050
3,4,5-triethoxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 3861196
4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 29093987
4-butan-2-yloxy-N-[[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]carbamothioyl]benzamide
CID 3645366
3-[(2S)-butan-2-yl]oxy-N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]benzamide
CID 29093949
N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-2,4-dimethylbenzamide
CID 1395606
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-methoxybenzamide
CID 1363610

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide (CID 29093821) is 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
The InChIKey is RLHAIWIDQHEQCI-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-17(3)30-21-12-7-18(8-13-21)24(29)25-19-9-14-22-23(15-19)27-28(26-22)20-10-5-16(2)6-11-20/h5-15,17H,4H2,1-3H3,(H,25,29)/t17-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide?
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide is sourced from PubChem (CID 29093821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).