1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide

C22H18N4O3 — CID 4824043

IUPAC1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)ccc21
InChIInChI=1S/C22H18N4O3/c1-3-26-18-9-8-13(10-16(18)24-25-26)22(27)23-17-12-20-15(11-21(17)28-2)14-6-4-5-7-19(14)29-20/h4-12H,3H2,1-2H3,(H,23,27)
InChIKeyMCSYEKJXJCJEBW-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.61
Rot. Bonds4

About 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide

1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide (PubChem CID 4824043) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
PubChem CID4824043
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide
SMILESCCn1nnc2cc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)ccc21
InChIInChI=1S/C22H18N4O3/c1-3-26-18-9-8-13(10-16(18)24-25-26)22(27)23-17-12-20-15(11-21(17)28-2)14-6-4-5-7-19(14)29-20/h4-12H,3H2,1-2H3,(H,23,27)
InChIKeyMCSYEKJXJCJEBW-UHFFFAOYSA-N
XLogP4.61
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-methoxy-5-methylphenyl)benzotriazole-5-carboxamide
CID 26709742
N-(5-acetamido-2-methoxyphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 42091729
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-[2-(4-methoxyanilino)phenyl]benzotriazole-5-carboxamide
CID 8013290
N-(2-carbamoylphenyl)-1-ethylbenzotriazole-5-carboxamide
CID 51208716
1-ethyl-N-[2-(trifluoromethoxy)phenyl]benzotriazole-5-carboxamide
CID 27298510
N-(2-methoxydibenzofuran-3-yl)-3-(methylsulfanylmethyl)benzamide
CID 8777447
N-(2-methoxydibenzofuran-3-yl)-4-(phenoxymethyl)benzamide
CID 2097134
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
1-ethyl-N-(2-phenylphenyl)benzotriazole-5-carboxamide
CID 26727322
(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7668646
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylbenzotriazole-5-carboxamide
CID 26775714

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide (CID 4824043) is 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide is CCn1nnc2cc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)ccc21.
What is the InChIKey of 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide?
The InChIKey is MCSYEKJXJCJEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-3-26-18-9-8-13(10-16(18)24-25-26)22(27)23-17-12-20-15(11-21(17)28-2)14-6-4-5-7-19(14)29-20/h4-12H,3H2,1-2H3,(H,23,27).
What are the key properties of 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide?
1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide has a molecular weight of 386.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(2-methoxydibenzofuran-3-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 4824043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).