N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide

C25H26N4O2 — CID 4552294

IUPACN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1
InChIInChI=1S/C25H26N4O2/c1-4-14-31-21-12-8-19(9-13-21)25(30)26-22-16-24-23(15-17(22)3)27-29(28-24)20-10-6-18(5-2)7-11-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,26,30)
InChIKeyWTBZPZLURWQVJG-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.33
Rot. Bonds7

About N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide

N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide (PubChem CID 4552294) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide
PubChem CID4552294
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1
InChIInChI=1S/C25H26N4O2/c1-4-14-31-21-12-8-19(9-13-21)25(30)26-22-16-24-23(15-17(22)3)27-29(28-24)20-10-6-18(5-2)7-11-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,26,30)
InChIKeyWTBZPZLURWQVJG-UHFFFAOYSA-N
XLogP5.33
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6464232
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]acetamide
CID 738084
N-[2-(4-methoxyphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]butanamide
CID 2067299
N-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-propionamide
CID 654352
N-[2-(4-methoxyphenyl)-6-methylbenzotriazol-5-yl]pentanamide
CID 654480
N-(5-methyl-2,1,3-benzothiadiazol-4-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 714299
3-Furan-2-yl-N-(2-p-tolyl-2H-benzotriazol-5-yl)-acrylamide
CID 782316
N-[2-(4-ethoxyphenyl)-2H-1,2,3-benzotriazol-5-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1115184
1-[2-(4-Methoxy-phenyl)-6-methyl-2H-benzotriazol-5-yl]-3-(2-methyl-benzoyl)-thiourea
CID 1139460
N-[2-(4-ethylphenyl)-6-methyl-2H-1,2,3-benzotriazol-5-yl]-3,5-dimethoxybenzamide
CID 1256763
N-[2-(4-ethylphenyl)benzotriazol-5-yl]-1-benzofuran-2-carboxamide
CID 1334100
N-(2-phenyl-5-benzotriazolyl)-2,3-dihydro-1,4-benzodioxin-6-carboxamide
CID 1364199

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide?
The IUPAC name of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide (CID 4552294) is N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide.
What is the SMILES notation for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide?
The canonical SMILES for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1.
What is the InChIKey of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide?
The InChIKey is WTBZPZLURWQVJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-4-14-31-21-12-8-19(9-13-21)25(30)26-22-16-24-23(15-17(22)3)27-29(28-24)20-10-6-18(5-2)7-11-20/h6-13,15-16H,4-5,14H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide?
N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide has a molecular weight of 414.51 g/mol, XLogP of 5.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethylphenyl)-6-methylbenzotriazol-5-yl]-4-propoxybenzamide is sourced from PubChem (CID 4552294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).