ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate

C16H19NO4 — CID 78986459

IUPACethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H19NO4/c1-3-7-17(9-15(18)21-4-2)16(19)12-5-6-13-10-20-11-14(13)8-12/h3,5-6,8H,1,4,7,9-11H2,2H3
InChIKeyHSSWACWAYMBMRZ-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.91
Rot. Bonds6

About ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate

ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate (PubChem CID 78986459) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
PubChem CID78986459
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Nameethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C16H19NO4/c1-3-7-17(9-15(18)21-4-2)16(19)12-5-6-13-10-20-11-14(13)8-12/h3,5-6,8H,1,4,7,9-11H2,2H3
InChIKeyHSSWACWAYMBMRZ-UHFFFAOYSA-N
XLogP1.91
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
ethyl 2-[(4-fluoro-3-methoxybenzoyl)-prop-2-enylamino]acetate
CID 81013907
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
ethyl 2-[3H-benzimidazole-5-carbonyl(prop-2-enyl)amino]acetate
CID 115538918
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
CID 79001277
N-prop-2-enyl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49192019
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
CID 78978801
N-ethyl-N-prop-2-enyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 113363668

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate (CID 78986459) is ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate?
The InChIKey is HSSWACWAYMBMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-3-7-17(9-15(18)21-4-2)16(19)12-5-6-13-10-20-11-14(13)8-12/h3,5-6,8H,1,4,7,9-11H2,2H3.
What are the key properties of ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate?
ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate has a molecular weight of 289.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 78986459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).