N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide

C24H24N4O2 — CID 17220342

IUPACN-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C24H24N4O2/c1-16(2)15-30-20-11-7-8-18(13-20)24(29)25-21-14-23-22(12-17(21)3)26-28(27-23)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyDNTJMNSKXMVPOB-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.02
Rot. Bonds6

About N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide

N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide (PubChem CID 17220342) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
PubChem CID17220342
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
SMILESCc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1
InChIInChI=1S/C24H24N4O2/c1-16(2)15-30-20-11-7-8-18(13-20)24(29)25-21-14-23-22(12-17(21)3)26-28(27-23)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3,(H,25,29)
InChIKeyDNTJMNSKXMVPOB-UHFFFAOYSA-N
XLogP5.02
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 ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
3-bromo-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1348241
4-[(2R)-butan-2-yl]oxy-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 29093987
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-propoxybenzamide
CID 3681711
3-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)butanamide
CID 1121659
3-chloro-4-methyl-N-(6-methyl-2-phenylbenzotriazol-5-yl)benzamide
CID 1333387
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028
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

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide?
The IUPAC name of N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide (CID 17220342) is N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide is Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1cccc(OCC(C)C)c1.
What is the InChIKey of N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide?
The InChIKey is DNTJMNSKXMVPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16(2)15-30-20-11-7-8-18(13-20)24(29)25-21-14-23-22(12-17(21)3)26-28(27-23)19-9-5-4-6-10-19/h4-14,16H,15H2,1-3H3,(H,25,29).
What are the key properties of N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide?
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide has a molecular weight of 400.48 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide is sourced from PubChem (CID 17220342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).