1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide

C22H22N4O3 — CID 134036989

IUPAC1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)c3cn(Cc4ccccc4)nn3)oc12
InChIInChI=1S/C22H22N4O3/c1-3-28-19-11-7-10-17-12-20(29-21(17)19)15(2)23-22(27)18-14-26(25-24-18)13-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,23,27)
InChIKeySFKODQQKWSKKPC-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.96
Rot. Bonds7

About 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide

1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide (PubChem CID 134036989) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide
PubChem CID134036989
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide
SMILESCCOc1cccc2cc(C(C)NC(=O)c3cn(Cc4ccccc4)nn3)oc12
InChIInChI=1S/C22H22N4O3/c1-3-28-19-11-7-10-17-12-20(29-21(17)19)15(2)23-22(27)18-14-26(25-24-18)13-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,23,27)
InChIKeySFKODQQKWSKKPC-UHFFFAOYSA-N
XLogP3.96
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-[(1R)-1-(2-methoxyphenyl)ethyl]triazole-4-carboxamide
CID 51647259
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 18282452
ethyl 6-[1-(7-ethoxy-1-benzofuran-2-yl)ethylcarbamoyl]-2-methylpyridine-3-carboxylate
CID 55633376
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-4-methoxybenzamide
CID 60607084
N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1H-1,2,4-triazole-5-carboxamide
CID 97237661
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 55428779
2-(2-aminoethyl)-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120618711
N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2H-benzotriazole-5-carboxamide
CID 39968255
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
1-benzyl-N-[(1S)-1-(3,4-difluorophenyl)ethyl]triazole-4-carboxamide
CID 51646685
2-bromo-N-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-fluorobenzamide
CID 25468831
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(2-methoxyphenyl)urea
CID 39972995

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide (CID 134036989) is 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide is CCOc1cccc2cc(C(C)NC(=O)c3cn(Cc4ccccc4)nn3)oc12.
What is the InChIKey of 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide?
The InChIKey is SFKODQQKWSKKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-3-28-19-11-7-10-17-12-20(29-21(17)19)15(2)23-22(27)18-14-26(25-24-18)13-16-8-5-4-6-9-16/h4-12,14-15H,3,13H2,1-2H3,(H,23,27).
What are the key properties of 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide?
1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]triazole-4-carboxamide is sourced from PubChem (CID 134036989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).