2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

C17H17ClN2O6 — CID 8875533

IUPAC2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccco1)NCC(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O6/c18-12-3-5-13(6-4-12)24-8-9-26-16(22)11-19-15(21)10-20-17(23)14-2-1-7-25-14/h1-7H,8-11H2,(H,19,21)(H,20,23)
InChIKeyJPSLEQYOLFIVFR-UHFFFAOYSA-N
MW380.78 g/mol
LogP1.40
Rot. Bonds9

About 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate

2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (PubChem CID 8875533) has the molecular formula C17H17ClN2O6 and a molecular weight of 380.78 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.

Molecular Properties

Compound Name2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
PubChem CID8875533
Molecular FormulaC17H17ClN2O6
Molecular Weight380.78 g/mol
Exact Mass380.08
IUPAC Name2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
SMILESO=C(CNC(=O)c1ccco1)NCC(=O)OCCOc1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O6/c18-12-3-5-13(6-4-12)24-8-9-26-16(22)11-19-15(21)10-20-17(23)14-2-1-7-25-14/h1-7H,8-11H2,(H,19,21)(H,20,23)
InChIKeyJPSLEQYOLFIVFR-UHFFFAOYSA-N
XLogP1.40
TPSA106.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.78
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-(3-chloroanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8871080
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875456
2-(4-chlorophenoxy)ethyl 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884594
2-(4-chlorophenoxy)ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 7881097
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl 2-(furan-2-carbonylamino)acetate
CID 7880026
N-[2-[2-[2-(4-ethylphenoxy)acetyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 18159228
[2-[2-(furan-2-carbonyl)hydrazinyl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884691
2-(4-chlorophenoxy)ethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 3524412
[2-(2-methylsulfanylanilino)-2-oxoethyl] 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate
CID 8875399
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-(furan-2-carbonylamino)acetate
CID 7879966
N-(2-phenoxyethoxy)furan-2-carboxamide
CID 110294654
N-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]benzamide
CID 27861644

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The IUPAC name of 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate (CID 8875533) is 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate.
What is the SMILES notation for 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The canonical SMILES for 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is O=C(CNC(=O)c1ccco1)NCC(=O)OCCOc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
The InChIKey is JPSLEQYOLFIVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O6/c18-12-3-5-13(6-4-12)24-8-9-26-16(22)11-19-15(21)10-20-17(23)14-2-1-7-25-14/h1-7H,8-11H2,(H,19,21)(H,20,23).
What are the key properties of 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate?
2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate has a molecular weight of 380.78 g/mol, XLogP of 1.40, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)ethyl 2-[[2-(furan-2-carbonylamino)acetyl]amino]acetate is sourced from PubChem (CID 8875533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).