N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide

C18H27N5O2 — CID 135511964

IUPACN-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide
SMILESCCN1CCCCCCC(NC(=O)c2cc3[nH]nnc3cc2OC)C1
InChIInChI=1S/C18H27N5O2/c1-3-23-9-7-5-4-6-8-13(12-23)19-18(24)14-10-15-16(21-22-20-15)11-17(14)25-2/h10-11,13H,3-9,12H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyIGNSJVCHQGVIQR-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.35
Rot. Bonds4

About N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide

N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide (PubChem CID 135511964) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide
PubChem CID135511964
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC NameN-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide
SMILESCCN1CCCCCCC(NC(=O)c2cc3[nH]nnc3cc2OC)C1
InChIInChI=1S/C18H27N5O2/c1-3-23-9-7-5-4-6-8-13(12-23)19-18(24)14-10-15-16(21-22-20-15)11-17(14)25-2/h10-11,13H,3-9,12H2,1-2H3,(H,19,24)(H,20,21,22)
InChIKeyIGNSJVCHQGVIQR-UHFFFAOYSA-N
XLogP2.35
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide (CID 135511964) is N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide is CCN1CCCCCCC(NC(=O)c2cc3[nH]nnc3cc2OC)C1.
What is the InChIKey of N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide?
The InChIKey is IGNSJVCHQGVIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-3-23-9-7-5-4-6-8-13(12-23)19-18(24)14-10-15-16(21-22-20-15)11-17(14)25-2/h10-11,13H,3-9,12H2,1-2H3,(H,19,24)(H,20,21,22).
What are the key properties of N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide?
N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylazonan-3-yl)-6-methoxy-3H-benzotriazole-5-carboxamide is sourced from PubChem (CID 135511964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).