N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide

C15H17NO2 — CID 136582666

IUPACN-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide
SMILESCC(C)[C@@H]1C[C@H]1NC(=O)c1coc2ccccc12
InChIInChI=1S/C15H17NO2/c1-9(2)11-7-13(11)16-15(17)12-8-18-14-6-4-3-5-10(12)14/h3-6,8-9,11,13H,7H2,1-2H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyXDCCSFDWSJGTEX-WCQYABFASA-N
MW243.31 g/mol
LogP3.21
Rot. Bonds3

About N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide

N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide (PubChem CID 136582666) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide
PubChem CID136582666
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC NameN-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide
SMILESCC(C)[C@@H]1C[C@H]1NC(=O)c1coc2ccccc12
InChIInChI=1S/C15H17NO2/c1-9(2)11-7-13(11)16-15(17)12-8-18-14-6-4-3-5-10(12)14/h3-6,8-9,11,13H,7H2,1-2H3,(H,16,17)/t11-,13+/m0/s1
InChIKeyXDCCSFDWSJGTEX-WCQYABFASA-N
XLogP3.21
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylpiperidin-4-yl)-1-benzofuran-3-carboxamide;hydrochloride
CID 120602513
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114315650
N',N'-dimethyl-1-benzofuran-3-carbohydrazide
CID 116848024
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
(4R)-4-(1-benzofuran-3-carbonylamino)pentanoic acid
CID 95359138
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 103801373
4-(1-benzofuran-3-carbonylamino)-2-methylbutanoic acid
CID 80538669

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide (CID 136582666) is N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide is CC(C)[C@@H]1C[C@H]1NC(=O)c1coc2ccccc12.
What is the InChIKey of N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide?
The InChIKey is XDCCSFDWSJGTEX-WCQYABFASA-N. The full InChI is InChI=1S/C15H17NO2/c1-9(2)11-7-13(11)16-15(17)12-8-18-14-6-4-3-5-10(12)14/h3-6,8-9,11,13H,7H2,1-2H3,(H,16,17)/t11-,13+/m0/s1.
What are the key properties of N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide?
N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-propan-2-ylcyclopropyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 136582666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).