methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate

C22H20N2O5 — CID 55964481

IUPACmethyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2occc2-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O5/c1-28-20(26)14-23-19(25)13-15-7-9-17(10-8-15)24-22(27)21-18(11-12-29-21)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyKOVXYQADTVMQEV-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.03
Rot. Bonds7

About methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate

methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate (PubChem CID 55964481) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate
PubChem CID55964481
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Namemethyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cc1ccc(NC(=O)c2occc2-c2ccccc2)cc1
InChIInChI=1S/C22H20N2O5/c1-28-20(26)14-23-19(25)13-15-7-9-17(10-8-15)24-22(27)21-18(11-12-29-21)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,25)(H,24,27)
InChIKeyKOVXYQADTVMQEV-UHFFFAOYSA-N
XLogP3.03
TPSA97.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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methyl 2-[[2-[4-[[(2S)-2-amino-3-phenylpropanoyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119282834
methyl 2-[[4-[(3-phenylthiophene-2-carbonyl)amino]benzoyl]amino]acetate
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methyl 2-[[2-[4-[[2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
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methyl 2-[[2-[4-[(4-chloropyridine-2-carbonyl)amino]phenyl]acetyl]amino]acetate
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methyl 2-[[2-[4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]phenyl]acetyl]amino]acetate
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N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-phenylfuran-2-carboxamide
CID 107847366
methyl 2-[[2-[4-[[5-(4-fluorophenyl)thiophene-2-carbonyl]amino]phenyl]acetyl]amino]acetate
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methyl 2-[[2-[4-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]amino]phenyl]acetyl]amino]acetate
CID 60555964
N-(2-hydroxy-2-methylbutyl)-3-phenylfuran-2-carboxamide
CID 65114924
methyl 2-[[2-[4-[3-[[benzyl(methyl)carbamoyl]amino]propanoylamino]phenyl]acetyl]amino]acetate
CID 56513173

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate (CID 55964481) is methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate is COC(=O)CNC(=O)Cc1ccc(NC(=O)c2occc2-c2ccccc2)cc1.
What is the InChIKey of methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
The InChIKey is KOVXYQADTVMQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-28-20(26)14-23-19(25)13-15-7-9-17(10-8-15)24-22(27)21-18(11-12-29-21)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3,(H,23,25)(H,24,27).
What are the key properties of methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate?
methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate has a molecular weight of 392.41 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(3-phenylfuran-2-carbonyl)amino]phenyl]acetyl]amino]acetate is sourced from PubChem (CID 55964481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).