N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide

C16H19NO4 — CID 50949241

IUPACN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19NO4/c1-3-20-15-9-19-8-12(15)17-16(18)14-7-11-6-10(2)4-5-13(11)21-14/h4-7,12,15H,3,8-9H2,1-2H3,(H,17,18)/t12-,15-/m0/s1
InChIKeyUSTKQPATDPVKIJ-WFASDCNBSA-N
MW289.33 g/mol
LogP2.27
Rot. Bonds4

About N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide

N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 50949241) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID50949241
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC NameN-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCCO[C@H]1COC[C@@H]1NC(=O)c1cc2cc(C)ccc2o1
InChIInChI=1S/C16H19NO4/c1-3-20-15-9-19-8-12(15)17-16(18)14-7-11-6-10(2)4-5-13(11)21-14/h4-7,12,15H,3,8-9H2,1-2H3,(H,17,18)/t12-,15-/m0/s1
InChIKeyUSTKQPATDPVKIJ-WFASDCNBSA-N
XLogP2.27
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 17015654
N-[2-(aminomethyl)cyclopentyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119602924
4-chloro-N-[(3S,4R)-4-ethoxyoxolan-3-yl]-3-methylbenzamide
CID 122559839
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methylpyrazolo[1,5-a]pyridine-2-carboxamide
CID 122561387
5-methyl-N-(2-methylpropoxy)-1-benzofuran-2-carboxamide
CID 115409727
N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1-benzothiophene-2-carboxamide
CID 133121701
N-(2-carbamothioylcyclopentyl)-5-methyl-1-benzofuran-2-carboxamide
CID 62955877
3-amino-N-[(3R,4S)-4-ethoxyoxolan-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 133134619
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-methyl-1-benzofuran-2-carboxamide;hydrochloride
CID 120946334
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 56740631
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide (CID 50949241) is N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide is CCO[C@H]1COC[C@@H]1NC(=O)c1cc2cc(C)ccc2o1.
What is the InChIKey of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is USTKQPATDPVKIJ-WFASDCNBSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-20-15-9-19-8-12(15)17-16(18)14-7-11-6-10(2)4-5-13(11)21-14/h4-7,12,15H,3,8-9H2,1-2H3,(H,17,18)/t12-,15-/m0/s1.
What are the key properties of N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide?
N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 289.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-ethoxyoxolan-3-yl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50949241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).