ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate

C14H20N2O5 — CID 61343133

IUPACethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C14H20N2O5/c1-3-20-14(19)10(2)16-12(17)7-4-8-15-13(18)11-6-5-9-21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXEKHJZNJEBHMRS-UHFFFAOYSA-N
MW296.32 g/mol
LogP0.86
Rot. Bonds8

About ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate

ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate (PubChem CID 61343133) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
PubChem CID61343133
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C14H20N2O5/c1-3-20-14(19)10(2)16-12(17)7-4-8-15-13(18)11-6-5-9-21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyXEKHJZNJEBHMRS-UHFFFAOYSA-N
XLogP0.86
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(1-hydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 43418787
N-[4-[[(2R)-1-hydroxypropan-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 79030673
2-[4-(furan-2-carbonylamino)butanoylamino]-3-methylbutanoic acid
CID 43353978
N-[4-(1,3-dihydroxypropan-2-ylamino)-4-oxobutyl]furan-2-carboxamide
CID 65312462
N-[4-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-4-oxobutyl]furan-2-carboxamide
CID 46532972
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[4-[1-(2-bromophenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51181201
N-[4-[1-(4-bromophenyl)propylamino]-4-oxobutyl]furan-2-carboxamide
CID 43022777
N-[4-oxo-4-[1-(1H-1,2,4-triazol-5-yl)ethylamino]butyl]furan-2-carboxamide
CID 103722946
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
CID 86914497
N-[4-[1-(2,5-dimethoxyphenyl)ethylamino]-4-oxobutyl]furan-2-carboxamide
CID 51207731
N-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-4-oxobutyl]furan-2-carboxamide
CID 106164627

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate?
The IUPAC name of ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate (CID 61343133) is ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate.
What is the SMILES notation for ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate?
The canonical SMILES for ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate is CCOC(=O)C(C)NC(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate?
The InChIKey is XEKHJZNJEBHMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-20-14(19)10(2)16-12(17)7-4-8-15-13(18)11-6-5-9-21-11/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate?
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate has a molecular weight of 296.32 g/mol, XLogP of 0.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate is sourced from PubChem (CID 61343133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).