methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate

C19H19NO4 — CID 54496450

IUPACmethyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccccc1C(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H19NO4/c1-12(19(22)23-2)20-15-9-5-4-8-14(15)18(21)17-11-13-7-3-6-10-16(13)24-17/h3-10,12,17,20H,11H2,1-2H3/t12?,17-/m0/s1
InChIKeyXZLFGBWIYMTKER-TYJDENFWSA-N
MW325.36 g/mol
LogP2.85
Rot. Bonds5

About methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate

methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate (PubChem CID 54496450) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate
PubChem CID54496450
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate
SMILESCOC(=O)C(C)Nc1ccccc1C(=O)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C19H19NO4/c1-12(19(22)23-2)20-15-9-5-4-8-14(15)18(21)17-11-13-7-3-6-10-16(13)24-17/h3-10,12,17,20H,11H2,1-2H3/t12?,17-/m0/s1
InChIKeyXZLFGBWIYMTKER-TYJDENFWSA-N
XLogP2.85
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
N-(2-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17392144
2,3-dihydro-1-benzofuran-2-yl-(2,4-dimethylphenyl)methanone
CID 43337896
2,3-dihydro-1-benzofuran-2-yl-(4-propan-2-yloxyphenyl)methanone
CID 43339571
(Z)-2-(2,3-dihydro-1-benzofuran-2-yl)but-2-enamide
CID 90190601
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
(2S)-N-(2-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8872415
methyl 2-(2-phenylanilino)propanoate
CID 54941069
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
[5-(2,3-dihydro-1-benzofuran-2-carbonylamino)-6-methyl-2-pyridinyl] carbamate
CID 175366135
methyl 2-[[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-2-methylpropanoate
CID 30886866

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate?
The IUPAC name of methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate (CID 54496450) is methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate.
What is the SMILES notation for methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate?
The canonical SMILES for methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate is COC(=O)C(C)Nc1ccccc1C(=O)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate?
The InChIKey is XZLFGBWIYMTKER-TYJDENFWSA-N. The full InChI is InChI=1S/C19H19NO4/c1-12(19(22)23-2)20-15-9-5-4-8-14(15)18(21)17-11-13-7-3-6-10-16(13)24-17/h3-10,12,17,20H,11H2,1-2H3/t12?,17-/m0/s1.
What are the key properties of methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate?
methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate has a molecular weight of 325.36 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[(2S)-2,3-dihydro-1-benzofuran-2-carbonyl]anilino]propanoate is sourced from PubChem (CID 54496450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).