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

C20H25NO6 — CID 120686230

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
CID 119197735
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[[2-(2,6-difluorophenyl)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120518105
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-[(3,5-dimethoxyphenyl)methyl-(5-fluoro-2-methoxybenzoyl)amino]acetic acid
CID 120976580
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
CID 120518082

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).