N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C16H19NO3 — CID 946501

IUPACN-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C16H19NO3/c18-15(17-11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)20-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,18)/t14-/m1/s1
InChIKeyQRHSSMNNHRFKTN-CQSZACIVSA-N
MW273.33 g/mol
LogP2.74
Rot. Bonds3

About N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 946501) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID946501
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC NameN-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESO=C(C[C@H]1OC(=O)c2ccccc21)NC1CCCCC1
InChIInChI=1S/C16H19NO3/c18-15(17-11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)20-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,18)/t14-/m1/s1
InChIKeyQRHSSMNNHRFKTN-CQSZACIVSA-N
XLogP2.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 946501) is N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is O=C(C[C@H]1OC(=O)c2ccccc21)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is QRHSSMNNHRFKTN-CQSZACIVSA-N. The full InChI is InChI=1S/C16H19NO3/c18-15(17-11-6-2-1-3-7-11)10-14-12-8-4-5-9-13(12)16(19)20-14/h4-5,8-9,11,14H,1-3,6-7,10H2,(H,17,18)/t14-/m1/s1.
What are the key properties of N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 273.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 946501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).