2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate

C13H19NO5 — CID 86914497

IUPAC2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
SMILESCCOCCOC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C13H19NO5/c1-2-17-9-10-19-12(15)6-3-7-14-13(16)11-5-4-8-18-11/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,14,16)
InChIKeyOQJJNCNQWNNDNI-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.37
Rot. Bonds9

About 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate

2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate (PubChem CID 86914497) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate.

Molecular Properties

Compound Name2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
PubChem CID86914497
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate
SMILESCCOCCOC(=O)CCCNC(=O)c1ccco1
InChIInChI=1S/C13H19NO5/c1-2-17-9-10-19-12(15)6-3-7-14-13(16)11-5-4-8-18-11/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,14,16)
InChIKeyOQJJNCNQWNNDNI-UHFFFAOYSA-N
XLogP1.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(6-methyl-2-pyridinyl)propyl 4-(furan-2-carbonylamino)butanoate
CID 86977764
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
ethyl 2-[4-(furan-2-carbonylamino)butanoylamino]propanoate
CID 61343133
N-[10-(furan-2-carbonylamino)decyl]furan-2-carboxamide
CID 3147438
N-[2-(3-ethoxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 17311579
N-[3-(ethylamino)propyl]furan-2-carboxamide
CID 43601657
2-[ethyl-[4-(furan-2-carbonylamino)butanoyl]amino]acetic acid
CID 61022719
N-[(2S)-1-(3-ethoxypropylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 24540679
N-(4-aminobutyl)furan-2-carboxamide
CID 14423349
N-[4-(3-ethoxypropylcarbamoyl)-2-(furan-2-carbonylamino)phenyl]furan-2-carboxamide
CID 177047514
(2,4-dichlorophenyl)methyl 4-(furan-2-carbonylamino)butanoate
CID 55369171
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate?
The IUPAC name of 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate (CID 86914497) is 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate.
What is the SMILES notation for 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate?
The canonical SMILES for 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate is CCOCCOC(=O)CCCNC(=O)c1ccco1.
What is the InChIKey of 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate?
The InChIKey is OQJJNCNQWNNDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-2-17-9-10-19-12(15)6-3-7-14-13(16)11-5-4-8-18-11/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,14,16).
What are the key properties of 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate?
2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate has a molecular weight of 269.30 g/mol, XLogP of 1.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-(furan-2-carbonylamino)butanoate is sourced from PubChem (CID 86914497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).