4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide

C24H24N4O2 — CID 29093987

IUPAC4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1
InChIInChI=1S/C24H24N4O2/c1-4-17(3)30-20-12-10-18(11-13-20)24(29)25-21-15-23-22(14-16(21)2)26-28(27-23)19-8-6-5-7-9-19/h5-15,17H,4H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeyPOBUJJNCEFKRCS-QGZVFWFLSA-N
MW400.48 g/mol
LogP5.16
Rot. Bonds6

About 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide

4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide (PubChem CID 29093987) 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-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
PubChem CID29093987
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
SMILESCC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1
InChIInChI=1S/C24H24N4O2/c1-4-17(3)30-20-12-10-18(11-13-20)24(29)25-21-15-23-22(14-16(21)2)26-28(27-23)19-8-6-5-7-9-19/h5-15,17H,4H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeyPOBUJJNCEFKRCS-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-[(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
4-[(2R)-butan-2-yl]oxy-N-[[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 27235798
4-[(2R)-butan-2-yl]oxy-N-[2-[4-(diethylamino)-2-methylphenyl]-6-methylbenzotriazol-5-yl]benzamide
CID 29094030
3-butan-2-yloxy-N-(6-chloro-2-phenylbenzotriazol-5-yl)benzamide
CID 17220322
N-[6-methyl-2-(4-propan-2-ylphenyl)benzotriazol-5-yl]-4-phenylmethoxybenzamide
CID 17117343
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methylphenyl)benzotriazol-5-yl]benzamide
CID 29093821
3-bromo-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1348241
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-4-methylbenzamide
CID 2889295
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide?
The IUPAC name of 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide (CID 29093987) is 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide.
What is the SMILES notation for 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide?
The canonical SMILES for 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide is CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2C)cc1.
What is the InChIKey of 4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide?
The InChIKey is POBUJJNCEFKRCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-17(3)30-20-12-10-18(11-13-20)24(29)25-21-15-23-22(14-16(21)2)26-28(27-23)19-8-6-5-7-9-19/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-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide?
4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-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-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide is sourced from PubChem (CID 29093987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).