ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate

C19H22N2O5 — CID 113227718

IUPACethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C19H22N2O5/c1-2-26-18(23)13-21(12-15-6-4-3-5-7-15)17(22)8-10-20-19(24)16-9-11-25-14-16/h3-7,9,11,14H,2,8,10,12-13H2,1H3,(H,20,24)
InChIKeyMKYOGUWMZZMXQU-UHFFFAOYSA-N
MW358.39 g/mol
LogP1.99
Rot. Bonds9

About ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate

ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate (PubChem CID 113227718) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
PubChem CID113227718
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nameethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate
SMILESCCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1
InChIInChI=1S/C19H22N2O5/c1-2-26-18(23)13-21(12-15-6-4-3-5-7-15)17(22)8-10-20-19(24)16-9-11-25-14-16/h3-7,9,11,14H,2,8,10,12-13H2,1H3,(H,20,24)
InChIKeyMKYOGUWMZZMXQU-UHFFFAOYSA-N
XLogP1.99
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetic acid
CID 54901043
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ethyl 2-[benzyl(3-ethoxypropanoyl)amino]acetate
CID 78925570
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440
ethyl 2-[benzyl(furan-2-carbonyl)amino]acetate
CID 51095282
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
methyl 2-[benzyl-[3-(propan-2-ylamino)propanoyl]amino]acetate
CID 60946952
ethyl 2-[benzyl(pent-4-enoyl)amino]acetate
CID 78917941
N-benzyl-N-[2-oxo-2-(propylamino)ethyl]furan-3-carboxamide
CID 4257361
butyl 3-(furan-3-carbonylamino)propanoate
CID 112727943
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate?
The IUPAC name of ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate (CID 113227718) is ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate?
The canonical SMILES for ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate is CCOC(=O)CN(Cc1ccccc1)C(=O)CCNC(=O)c1ccoc1.
What is the InChIKey of ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate?
The InChIKey is MKYOGUWMZZMXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-2-26-18(23)13-21(12-15-6-4-3-5-7-15)17(22)8-10-20-19(24)16-9-11-25-14-16/h3-7,9,11,14H,2,8,10,12-13H2,1H3,(H,20,24).
What are the key properties of ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate?
ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate has a molecular weight of 358.39 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl-[3-(furan-3-carbonylamino)propanoyl]amino]acetate is sourced from PubChem (CID 113227718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).