N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide

C20H20N4O2 — CID 92702195

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2cc(C(=O)N[C@H]3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-26-16-10-8-15(9-11-16)24-13-19(22-23-24)20(25)21-18-12-7-14-5-3-4-6-17(14)18/h3-6,8-11,13,18H,2,7,12H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyCCVDNWCBXFLYOF-SFHVURJKSA-N
MW348.41 g/mol
LogP3.08
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide (PubChem CID 92702195) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
PubChem CID92702195
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
SMILESCCOc1ccc(-n2cc(C(=O)N[C@H]3CCc4ccccc43)nn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-26-16-10-8-15(9-11-16)24-13-19(22-23-24)20(25)21-18-12-7-14-5-3-4-6-17(14)18/h3-6,8-11,13,18H,2,7,12H2,1H3,(H,21,25)/t18-/m0/s1
InChIKeyCCVDNWCBXFLYOF-SFHVURJKSA-N
XLogP3.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 47071805
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[2-(dimethylamino)-2-oxoethyl]triazole-4-carboxamide
CID 94660049
N-(2,3-dihydro-1H-inden-1-yl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 51273592
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
CID 43066169
N-(4-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191383
3-(4-ethoxyphenyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-5-carboxamide
CID 20918159
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine-3-carboxamide
CID 2641814
(4-ethoxyphenyl)methyl-methyl-[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl]azanium
CID 2532930
N-[(1R,2R)-2-hydroxycyclohexyl]-1-phenyltriazole-4-carboxamide
CID 104927751
N-cyclopropyl-1-[4-(ethylcarbamoyl)phenyl]triazole-4-carboxamide
CID 68514420
ethyl 1-[4-(2,3-dihydro-1H-inden-1-ylcarbamoyl)phenyl]-5-pentan-3-ylpyrazole-3-carboxylate
CID 46082030

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide (CID 92702195) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide is CCOc1ccc(-n2cc(C(=O)N[C@H]3CCc4ccccc43)nn2)cc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
The InChIKey is CCVDNWCBXFLYOF-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-16-10-8-15(9-11-16)24-13-19(22-23-24)20(25)21-18-12-7-14-5-3-4-6-17(14)18/h3-6,8-11,13,18H,2,7,12H2,1H3,(H,21,25)/t18-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-(4-ethoxyphenyl)triazole-4-carboxamide is sourced from PubChem (CID 92702195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).