N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide

C16H18N4O2 — CID 129417735

IUPACN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H18N4O2/c1-11(2)13(10-20-17-7-8-18-20)19-16(21)15-9-12-5-3-4-6-14(12)22-15/h3-9,11,13H,10H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyRSGBKZMSJWHIMH-ZDUSSCGKSA-N
MW298.35 g/mol
LogP2.48
Rot. Bonds5

About N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide

N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 129417735) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID129417735
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide
SMILESCC(C)[C@H](Cn1nccn1)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H18N4O2/c1-11(2)13(10-20-17-7-8-18-20)19-16(21)15-9-12-5-3-4-6-14(12)22-15/h3-9,11,13H,10H2,1-2H3,(H,19,21)/t13-/m0/s1
InChIKeyRSGBKZMSJWHIMH-ZDUSSCGKSA-N
XLogP2.48
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
N-[(2S)-1-[(2-amino-3-methylbutanoyl)amino]-3-methylbutan-2-yl]-1-benzofuran-2-carboxamide
CID 69482973
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
CID 113376830
3-methyl-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121176822
3-bromo-N-[3-methyl-1-(triazol-2-yl)butan-2-yl]benzamide
CID 121018999
N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-1-benzofuran-2-carboxamide
CID 175058891
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 129417433
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide (CID 129417735) is N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide is CC(C)[C@H](Cn1nccn1)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RSGBKZMSJWHIMH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11(2)13(10-20-17-7-8-18-20)19-16(21)15-9-12-5-3-4-6-14(12)22-15/h3-9,11,13H,10H2,1-2H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide?
N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-methyl-1-(triazol-2-yl)butan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 129417735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).