N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide

C23H24N4O3 — CID 55650122

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1nnn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C23H24N4O3/c1-5-20-19(18-11-6-7-12-21(18)30-20)14-26(3)23(28)22-15(2)27(25-24-22)16-9-8-10-17(13-16)29-4/h6-13H,5,14H2,1-4H3
InChIKeyWRTAYVIHWZIMNF-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.17
Rot. Bonds6

About N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide (PubChem CID 55650122) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide
PubChem CID55650122
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)c1nnn(-c2cccc(OC)c2)c1C
InChIInChI=1S/C23H24N4O3/c1-5-20-19(18-11-6-7-12-21(18)30-20)14-26(3)23(28)22-15(2)27(25-24-22)16-9-8-10-17(13-16)29-4/h6-13H,5,14H2,1-4H3
InChIKeyWRTAYVIHWZIMNF-UHFFFAOYSA-N
XLogP4.17
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methoxyphenyl)-N,5-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]triazole-4-carboxamide
CID 55649496
N-(furan-2-ylmethyl)-1-(3-methoxyphenyl)-5-methyl-N-phenyltriazole-4-carboxamide
CID 55668006
N-[(2-chlorophenyl)methyl]-N,5-dimethyl-1-(3-methylphenyl)triazole-4-carboxamide
CID 55854326
1-(3-bromophenyl)-N-[(2-ethoxyphenyl)methyl]-N,5-dimethyltriazole-4-carboxamide
CID 55957403
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3-methoxyphenyl)-5-methyl-N-propyltriazole-4-carboxamide
CID 55670903
N-[(2-methoxyphenyl)methyl]-N,5-dimethyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 55874297
N-(4-ethylphenyl)-1-(3-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 16648407
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 55719105
1-[4-[1-(3-methoxyphenyl)-5-methyltriazole-4-carbonyl]piperazin-1-yl]ethanone
CID 39888524
1-(3-chlorophenyl)-N-(2-hydroxyethyl)-N,5-dimethyltriazole-4-carboxamide
CID 110900004
N-[(5-chloro-2-methoxyphenyl)methyl]-N,5-dimethyl-1-(3-nitrophenyl)triazole-4-carboxamide
CID 32762554
1-[5-ethyl-1-(3-methoxyphenyl)triazol-4-yl]propan-1-one
CID 107431322

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide (CID 55650122) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide is CCc1oc2ccccc2c1CN(C)C(=O)c1nnn(-c2cccc(OC)c2)c1C.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide?
The InChIKey is WRTAYVIHWZIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-5-20-19(18-11-6-7-12-21(18)30-20)14-26(3)23(28)22-15(2)27(25-24-22)16-9-8-10-17(13-16)29-4/h6-13H,5,14H2,1-4H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-1-(3-methoxyphenyl)-N,5-dimethyltriazole-4-carboxamide is sourced from PubChem (CID 55650122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).