3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide

C24H24N4O2 — CID 17027188

IUPAC3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1
InChIInChI=1S/C24H24N4O2/c1-4-17-9-11-19(12-10-17)28-26-22-13-16(3)21(15-23(22)27-28)25-24(29)18-7-6-8-20(14-18)30-5-2/h6-15H,4-5H2,1-3H3,(H,25,29)
InChIKeyFGJQGJXKMUSBFN-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.94
Rot. Bonds6

About 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide

3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide (PubChem CID 17027188) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
PubChem CID17027188
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1
InChIInChI=1S/C24H24N4O2/c1-4-17-9-11-19(12-10-17)28-26-22-13-16(3)21(15-23(22)27-28)25-24(29)18-7-6-8-20(14-18)30-5-2/h6-15H,4-5H2,1-3H3,(H,25,29)
InChIKeyFGJQGJXKMUSBFN-UHFFFAOYSA-N
XLogP4.94
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.94
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-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
3-ethoxy-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 1345438
4-ethyl-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17018365
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1365245
4-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-3-nitrobenzamide
CID 2233984
3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
N-(6-methyl-2-phenylbenzotriazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 17220342
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-propoxybenzamide
CID 3681711
N-[[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]carbamothioyl]-3-ethoxybenzamide
CID 3778009
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028
N-[[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-3,5-dimethoxybenzamide
CID 17115229

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide (CID 17027188) is 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide is CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1.
What is the InChIKey of 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The InChIKey is FGJQGJXKMUSBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-4-17-9-11-19(12-10-17)28-26-22-13-16(3)21(15-23(22)27-28)25-24(29)18-7-6-8-20(14-18)30-5-2/h6-15H,4-5H2,1-3H3,(H,25,29).
What are the key properties of 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide?
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide has a molecular weight of 400.48 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide is sourced from PubChem (CID 17027188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).