methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate

C20H17NO4 — CID 119103319

IUPACmethyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C20H17NO4/c1-24-20(23)17-8-6-16(7-9-17)19(22)21-12-14-2-4-15(5-3-14)18-10-11-25-13-18/h2-11,13H,12H2,1H3,(H,21,22)
InChIKeyGTXNZFJTDLRVOA-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.66
Rot. Bonds5

About methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate

methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate (PubChem CID 119103319) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
PubChem CID119103319
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Namemethyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1
InChIInChI=1S/C20H17NO4/c1-24-20(23)17-8-6-16(7-9-17)19(22)21-12-14-2-4-15(5-3-14)18-10-11-25-13-18/h2-11,13H,12H2,1H3,(H,21,22)
InChIKeyGTXNZFJTDLRVOA-UHFFFAOYSA-N
XLogP3.66
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[(4-pyrrol-1-ylphenyl)methylcarbamoyl]benzoate
CID 4919619
N-[[4-(furan-3-yl)phenyl]methyl]-2,3-dimethoxybenzamide
CID 121020532
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-methoxybenzamide
CID 121196612
ethyl 4-(furan-3-yl)benzoate
CID 86071197
N-[[4-(furan-3-yl)phenyl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 119103341
3-cyano-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103306
2-bromo-N-[[4-(furan-3-yl)phenyl]methyl]benzamide
CID 119103328
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
CID 18106671
N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-[4-[(1-methylpyridin-1-ium-4-yl)methylcarbamoyl]phenyl]benzamide
CID 171423352
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-4-propylbenzamide
CID 121022431
4-(aminomethyl)-N-(furan-3-ylmethyl)benzamide
CID 104694164

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate?
The IUPAC name of methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate (CID 119103319) is methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate?
The canonical SMILES for methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate is COC(=O)c1ccc(C(=O)NCc2ccc(-c3ccoc3)cc2)cc1.
What is the InChIKey of methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate?
The InChIKey is GTXNZFJTDLRVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-24-20(23)17-8-6-16(7-9-17)19(22)21-12-14-2-4-15(5-3-14)18-10-11-25-13-18/h2-11,13H,12H2,1H3,(H,21,22).
What are the key properties of methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate?
methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate has a molecular weight of 335.36 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(furan-3-yl)phenyl]methylcarbamoyl]benzoate is sourced from PubChem (CID 119103319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).