1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide

C20H26N4O2 — CID 56912716

IUPAC1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide
SMILESCC1(C)Cc2cc(CNC(=O)c3cn(C4CCCCC4)nn3)ccc2O1
InChIInChI=1S/C20H26N4O2/c1-20(2)11-15-10-14(8-9-18(15)26-20)12-21-19(25)17-13-24(23-22-17)16-6-4-3-5-7-16/h8-10,13,16H,3-7,11-12H2,1-2H3,(H,21,25)
InChIKeyFGMYBMICJJGRJR-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.43
Rot. Bonds4

About 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide

1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide (PubChem CID 56912716) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide
PubChem CID56912716
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide
SMILESCC1(C)Cc2cc(CNC(=O)c3cn(C4CCCCC4)nn3)ccc2O1
InChIInChI=1S/C20H26N4O2/c1-20(2)11-15-10-14(8-9-18(15)26-20)12-21-19(25)17-13-24(23-22-17)16-6-4-3-5-7-16/h8-10,13,16H,3-7,11-12H2,1-2H3,(H,21,25)
InChIKeyFGMYBMICJJGRJR-UHFFFAOYSA-N
XLogP3.43
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrole-2-carboxamide
CID 118775296
N-cyclohexyl-2-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]acetamide
CID 119129103
N-[(3-methylphenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119709513
(5S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 125178880
(3S)-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]piperidine-1-carboxamide
CID 126431118
N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82684913
N-[(4-fluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119675797
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 126794663
1-cyclohexyl-N,N-bis(prop-2-enyl)triazole-4-carboxamide
CID 42194943
methyl 1-cyclohexyltriazole-4-carboxylate
CID 103689291
1-cycloheptyl-N-[2-(oxan-2-yl)ethyl]triazole-4-carboxamide
CID 45209096
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119846496

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide (CID 56912716) is 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide is CC1(C)Cc2cc(CNC(=O)c3cn(C4CCCCC4)nn3)ccc2O1.
What is the InChIKey of 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide?
The InChIKey is FGMYBMICJJGRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2)11-15-10-14(8-9-18(15)26-20)12-21-19(25)17-13-24(23-22-17)16-6-4-3-5-7-16/h8-10,13,16H,3-7,11-12H2,1-2H3,(H,21,25).
What are the key properties of 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide?
1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56912716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).