(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide

C14H16N2O4 — CID 92542869

IUPAC(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc2c(CC(=O)N[C@H](C)C(N)=O)coc2c1
InChIInChI=1S/C14H16N2O4/c1-8(14(15)18)16-13(17)5-9-7-20-12-6-10(19-2)3-4-11(9)12/h3-4,6-8H,5H2,1-2H3,(H2,15,18)(H,16,17)/t8-/m1/s1
InChIKeyDJKYBXVXTUINPD-MRVPVSSYSA-N
MW276.29 g/mol
LogP0.97
Rot. Bonds5

About (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide

(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide (PubChem CID 92542869) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
PubChem CID92542869
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc2c(CC(=O)N[C@H](C)C(N)=O)coc2c1
InChIInChI=1S/C14H16N2O4/c1-8(14(15)18)16-13(17)5-9-7-20-12-6-10(19-2)3-4-11(9)12/h3-4,6-8H,5H2,1-2H3,(H2,15,18)(H,16,17)/t8-/m1/s1
InChIKeyDJKYBXVXTUINPD-MRVPVSSYSA-N
XLogP0.97
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide with MolForge

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082
N-[(1S)-1-(furan-2-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 40790081
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 119607344
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215
2-(6-methoxy-1-benzofuran-3-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 134054992
2-(6-methoxy-1-benzofuran-3-yl)-N-(2-methoxyethyl)acetamide
CID 29290752
N-benzyl-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2598100
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
3-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]benzamide
CID 17394423
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide?
The IUPAC name of (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide (CID 92542869) is (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide is COc1ccc2c(CC(=O)N[C@H](C)C(N)=O)coc2c1.
What is the InChIKey of (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide?
The InChIKey is DJKYBXVXTUINPD-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8(14(15)18)16-13(17)5-9-7-20-12-6-10(19-2)3-4-11(9)12/h3-4,6-8H,5H2,1-2H3,(H2,15,18)(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide?
(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide has a molecular weight of 276.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 92542869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).