3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide

C25H26N4O4 — CID 1365245

IUPAC3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1
InChIInChI=1S/C25H26N4O4/c1-5-32-20-12-17(13-21(14-20)33-6-2)25(30)26-22-15-24-23(11-16(22)3)27-29(28-24)18-7-9-19(31-4)10-8-18/h7-15H,5-6H2,1-4H3,(H,26,30)
InChIKeyVGHNVHJXJBBESD-UHFFFAOYSA-N
MW446.51 g/mol
LogP4.79
Rot. Bonds8

About 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide

3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide (PubChem CID 1365245) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide.

Molecular Properties

Compound Name3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
PubChem CID1365245
Molecular FormulaC25H26N4O4
Molecular Weight446.51 g/mol
Exact Mass446.20
IUPAC Name3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
SMILESCCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1
InChIInChI=1S/C25H26N4O4/c1-5-32-20-12-17(13-21(14-20)33-6-2)25(30)26-22-15-24-23(11-16(22)3)27-29(28-24)18-7-9-19(31-4)10-8-18/h7-15H,5-6H2,1-4H3,(H,26,30)
InChIKeyVGHNVHJXJBBESD-UHFFFAOYSA-N
XLogP4.79
TPSA87.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 1204224
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
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]-3,4-dimethylbenzamide
CID 1316133
3-ethoxy-N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 17027188
3-chloro-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 23988877
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]-3-(2-methylpropoxy)benzamide
CID 23793528
4-[(2R)-butan-2-yl]oxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide
CID 29094105
N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]propanamide
CID 806738
2-cyano-N-[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 168522128
3-ethoxy-N-[[2-(4-ethoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]benzamide
CID 1345438
N-[2-[4-(diethylamino)phenyl]-6-methylbenzotriazol-5-yl]-3-methoxybenzamide
CID 2206028

Frequently Asked Questions

What is the IUPAC name of 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The IUPAC name of 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide (CID 1365245) is 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide.
What is the SMILES notation for 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The canonical SMILES for 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide is CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1.
What is the InChIKey of 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
The InChIKey is VGHNVHJXJBBESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-5-32-20-12-17(13-21(14-20)33-6-2)25(30)26-22-15-24-23(11-16(22)3)27-29(28-24)18-7-9-19(31-4)10-8-18/h7-15H,5-6H2,1-4H3,(H,26,30).
What are the key properties of 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide?
3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethoxy-N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]benzamide is sourced from PubChem (CID 1365245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).