N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide

C18H19N5O3 — CID 42091729

IUPACN-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)ccc21
InChIInChI=1S/C18H19N5O3/c1-4-23-16-7-5-12(9-14(16)21-22-23)18(25)20-15-10-13(19-11(2)24)6-8-17(15)26-3/h5-10H,4H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyGPLZPTWELZFVPE-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.67
Rot. Bonds5

About N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide

N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide (PubChem CID 42091729) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
PubChem CID42091729
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)ccc21
InChIInChI=1S/C18H19N5O3/c1-4-23-16-7-5-12(9-14(16)21-22-23)18(25)20-15-10-13(19-11(2)24)6-8-17(15)26-3/h5-10H,4H2,1-3H3,(H,19,24)(H,20,25)
InChIKeyGPLZPTWELZFVPE-UHFFFAOYSA-N
XLogP2.67
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
1-ethyl-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzotriazole-5-carboxamide
CID 17427457
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
CID 4824043
N-(5-acetamido-2-methoxyphenyl)-2-(benzotriazol-1-yl)acetamide
CID 17457964
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
N-(5-chloro-2-methoxyphenyl)-1-[2-(dimethylamino)ethyl]benzotriazole-5-carboxamide
CID 53180097
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714
N-(3-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 22110318
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
[(2R)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-ethylbenzotriazole-5-carboxylate
CID 7805925

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide (CID 42091729) is N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)ccc21.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is GPLZPTWELZFVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-4-23-16-7-5-12(9-14(16)21-22-23)18(25)20-15-10-13(19-11(2)24)6-8-17(15)26-3/h5-10H,4H2,1-3H3,(H,19,24)(H,20,25).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 42091729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).