methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate

C21H20N2O5 — CID 157041387

IUPACmethyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccc(NC(=O)C3=CCCO3)cc2)cc1
InChIInChI=1S/C21H20N2O5/c1-27-19(24)13-14-4-8-16(9-5-14)22-20(25)15-6-10-17(11-7-15)23-21(26)18-3-2-12-28-18/h3-11H,2,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyBJMGPYNEXGZIAB-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.90
Rot. Bonds6

About methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate

methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate (PubChem CID 157041387) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate
PubChem CID157041387
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Namemethyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate
SMILESCOC(=O)Cc1ccc(NC(=O)c2ccc(NC(=O)C3=CCCO3)cc2)cc1
InChIInChI=1S/C21H20N2O5/c1-27-19(24)13-14-4-8-16(9-5-14)22-20(25)15-6-10-17(11-7-15)23-21(26)18-3-2-12-28-18/h3-11H,2,12-13H2,1H3,(H,22,25)(H,23,26)
InChIKeyBJMGPYNEXGZIAB-UHFFFAOYSA-N
XLogP2.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-[(4-cyanobenzoyl)amino]phenyl]acetate
CID 36829844
[4-(4-hydroxyphenyl)phenyl] 4-[[4-(2-methoxy-2-oxoethyl)benzoyl]amino]benzoate
CID 89329547
methyl 2-[4-[(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)carbamoyl]phenyl]acetate
CID 155439708
methyl 2-[4-[(2-cyanoacetyl)amino]phenyl]acetate
CID 83290938
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
methyl 2-[4-(prop-2-ynoylamino)phenyl]acetate
CID 126853006
methyl 2-[4-(prop-2-enoxycarbonylamino)phenyl]acetate
CID 167022304
[(3R)-2-oxooxolan-3-yl] 2-(4-acetamidophenyl)acetate
CID 8608213
4-(cyclobutyloxymethyl)-N-(4-hydroxyphenyl)benzamide
CID 143182219
methyl 3-[4-[[4-(aminomethyl)benzoyl]amino]phenyl]propanoate;hydrochloride
CID 22362448
4-benzamido-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]benzamide
CID 39683129
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate?
The IUPAC name of methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate (CID 157041387) is methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate is COC(=O)Cc1ccc(NC(=O)c2ccc(NC(=O)C3=CCCO3)cc2)cc1.
What is the InChIKey of methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate?
The InChIKey is BJMGPYNEXGZIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-19(24)13-14-4-8-16(9-5-14)22-20(25)15-6-10-17(11-7-15)23-21(26)18-3-2-12-28-18/h3-11H,2,12-13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate?
methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate has a molecular weight of 380.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[4-(2,3-dihydrofuran-5-carbonylamino)benzoyl]amino]phenyl]acetate is sourced from PubChem (CID 157041387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).