N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

C20H18N2O4 — CID 9369134

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESC[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1cc2ccccc2o1
InChIInChI=1S/C20H18N2O4/c1-12(17-10-13-6-2-4-8-15(13)25-17)21-19(23)11-18-20(24)22-14-7-3-5-9-16(14)26-18/h2-10,12,18H,11H2,1H3,(H,21,23)(H,22,24)/t12-,18+/m1/s1
InChIKeyLSSVTTTZRMZEDJ-XIKOKIGWSA-N
MW350.37 g/mol
LogP3.40
Rot. Bonds4

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (PubChem CID 9369134) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
PubChem CID9369134
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
SMILESC[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1cc2ccccc2o1
InChIInChI=1S/C20H18N2O4/c1-12(17-10-13-6-2-4-8-15(13)25-17)21-19(23)11-18-20(24)22-14-7-3-5-9-16(14)26-18/h2-10,12,18H,11H2,1H3,(H,21,23)(H,22,24)/t12-,18+/m1/s1
InChIKeyLSSVTTTZRMZEDJ-XIKOKIGWSA-N
XLogP3.40
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9482274
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N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
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N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide
CID 39948835
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methyl (2S)-3-hydroxy-2-[[2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetyl]amino]propanoate
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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide (CID 9369134) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is C[C@@H](NC(=O)C[C@@H]1Oc2ccccc2NC1=O)c1cc2ccccc2o1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
The InChIKey is LSSVTTTZRMZEDJ-XIKOKIGWSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12(17-10-13-6-2-4-8-15(13)25-17)21-19(23)11-18-20(24)22-14-7-3-5-9-16(14)26-18/h2-10,12,18H,11H2,1H3,(H,21,23)(H,22,24)/t12-,18+/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide has a molecular weight of 350.37 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide is sourced from PubChem (CID 9369134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).