1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide

C17H18N4O2 — CID 26709742

IUPAC1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(C)ccc3OC)ccc21
InChIInChI=1S/C17H18N4O2/c1-4-21-15-7-6-12(10-13(15)19-20-21)17(22)18-14-9-11(2)5-8-16(14)23-3/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyVMLJOCFBTXFCTB-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.02
Rot. Bonds4

About 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide

1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide (PubChem CID 26709742) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
PubChem CID26709742
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(C)ccc3OC)ccc21
InChIInChI=1S/C17H18N4O2/c1-4-21-15-7-6-12(10-13(15)19-20-21)17(22)18-14-9-11(2)5-8-16(14)23-3/h5-10H,4H2,1-3H3,(H,18,22)
InChIKeyVMLJOCFBTXFCTB-UHFFFAOYSA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
1-ethyl-N-(2,4,6-trimethylphenyl)benzotriazole-5-carboxamide
CID 26085870
1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
CID 4824043
N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
CID 53180097
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
N-(2,5-dimethylphenyl)-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111478
1-ethyl-N-(6-methyl-1,3-benzothiazol-2-yl)benzotriazole-5-carboxamide
CID 31289238
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
N-[5-(2,4-dimethylphenyl)-1,3,4-thiadiazol-2-yl]-1-ethylbenzotriazole-5-carboxamide
CID 48585600
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide (CID 26709742) is 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cc(C)ccc3OC)ccc21.
What is the InChIKey of 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide?
The InChIKey is VMLJOCFBTXFCTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-4-21-15-7-6-12(10-13(15)19-20-21)17(22)18-14-9-11(2)5-8-16(14)23-3/h5-10H,4H2,1-3H3,(H,18,22).
What are the key properties of 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide?
1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide is sourced from PubChem (CID 26709742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).