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2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid

C20H25NO6 — CID 120686230

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCCc1cc(C(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)oc1CC
InChIInChI=1S/C20H25NO6/c1-5-14-9-18(27-17(14)6-2)20(24)21(12-19(22)23)11-13-7-15(25-3)10-16(8-13)26-4/h7-10H,5-6,11-12H2,1-4H3,(H,22,23)
InChIKeyHMIMBJHWSIWOPP-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.15
Rot. Bonds9

About 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid

2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid (PubChem CID 120686230) has the molecular formula C20H25NO6 and a molecular weight of 375.42 g/mol. Its IUPAC name is 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
PubChem CID120686230
Molecular FormulaC20H25NO6
Molecular Weight375.42 g/mol
Exact Mass375.17
IUPAC Name2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
SMILESCCc1cc(C(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)oc1CC
InChIInChI=1S/C20H25NO6/c1-5-14-9-18(27-17(14)6-2)20(24)21(12-19(22)23)11-13-7-15(25-3)10-16(8-13)26-4/h7-10H,5-6,11-12H2,1-4H3,(H,22,23)
InChIKeyHMIMBJHWSIWOPP-UHFFFAOYSA-N
XLogP3.15
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid (CID 120686230) is 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid is CCc1cc(C(=O)N(CC(=O)O)Cc2cc(OC)cc(OC)c2)oc1CC.
What is the InChIKey of 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
The InChIKey is HMIMBJHWSIWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO6/c1-5-14-9-18(27-17(14)6-2)20(24)21(12-19(22)23)11-13-7-15(25-3)10-16(8-13)26-4/h7-10H,5-6,11-12H2,1-4H3,(H,22,23).
What are the key properties of 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid?
2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid has a molecular weight of 375.42 g/mol, XLogP of 3.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 120686230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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