methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate

C19H19NO5 — CID 102352082

IUPACmethyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cc1coc2ccc3ccc(OC)cc3c12
InChIInChI=1S/C19H19NO5/c1-11(19(22)24-3)20-17(21)8-13-10-25-16-7-5-12-4-6-14(23-2)9-15(12)18(13)16/h4-7,9-11H,8H2,1-3H3,(H,20,21)/t11-/m0/s1
InChIKeySNASPFZGCVOCGG-NSHDSACASA-N
MW341.36 g/mol
LogP2.81
Rot. Bonds5

About methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate

methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate (PubChem CID 102352082) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
PubChem CID102352082
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Namemethyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)Cc1coc2ccc3ccc(OC)cc3c12
InChIInChI=1S/C19H19NO5/c1-11(19(22)24-3)20-17(21)8-13-10-25-16-7-5-12-4-6-14(23-2)9-15(12)18(13)16/h4-7,9-11H,8H2,1-3H3,(H,20,21)/t11-/m0/s1
InChIKeySNASPFZGCVOCGG-NSHDSACASA-N
XLogP2.81
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

(2R)-2-[[2-(6-methoxy-1-benzofuran-3-yl)acetyl]amino]propanamide
CID 92542869
methyl (2R)-2-[(2-benzo[e][1]benzofuran-1-ylacetyl)amino]-4-methylpentanoate
CID 9113240
methyl 2-[[2-(1-benzofuran-3-yl)acetyl]amino]propanoate
CID 110485821
N-[(2S)-1-aminopropan-2-yl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide;hydrochloride
CID 120505622
2-benzo[e][1]benzofuran-1-yl-N-[(3-methoxyphenyl)methyl]acetamide
CID 8921521
2-(6-methoxy-1-benzofuran-3-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 27742710
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
CID 127026426
methyl (2R)-2-[[2-(6,7-dimethyl-1-benzofuran-3-yl)acetyl]amino]propanoate
CID 40918319
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
2-(6-methoxy-1-benzofuran-3-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 24509636
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 2664215

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate (CID 102352082) is methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)Cc1coc2ccc3ccc(OC)cc3c12.
What is the InChIKey of methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate?
The InChIKey is SNASPFZGCVOCGG-NSHDSACASA-N. The full InChI is InChI=1S/C19H19NO5/c1-11(19(22)24-3)20-17(21)8-13-10-25-16-7-5-12-4-6-14(23-2)9-15(12)18(13)16/h4-7,9-11H,8H2,1-3H3,(H,20,21)/t11-/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate?
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate has a molecular weight of 341.36 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate is sourced from PubChem (CID 102352082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).