ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate

C17H20N2O4 — CID 70396945

IUPACethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C17H20N2O4/c1-4-22-16(20)13-6-8-14(9-7-13)19-17(21)18-12(3)15-10-5-11(2)23-15/h5-10,12H,4H2,1-3H3,(H2,18,19,21)
InChIKeyGUBAKAFWTPVTDA-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.65
Rot. Bonds5

About ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate

ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate (PubChem CID 70396945) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate
PubChem CID70396945
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Nameethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NC(C)c2ccc(C)o2)cc1
InChIInChI=1S/C17H20N2O4/c1-4-22-16(20)13-6-8-14(9-7-13)19-17(21)18-12(3)15-10-5-11(2)23-15/h5-10,12H,4H2,1-3H3,(H2,18,19,21)
InChIKeyGUBAKAFWTPVTDA-UHFFFAOYSA-N
XLogP3.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylphenyl)-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 60724113
1-[4-(1-hydroxyethyl)phenyl]-3-[1-(5-methylfuran-2-yl)ethyl]urea
CID 61478923
ethyl N-[4-[[2-[1-(5-methylfuran-2-yl)ethylamino]-2-oxoacetyl]amino]phenyl]carbamate
CID 47043505
4-[(4-ethoxycarbonylphenyl)carbamoylamino]benzoic acid
CID 69242497
5-[(4-ethoxycarbonylphenyl)carbamoylamino]furan-2-carboxylic acid
CID 69241870
ethyl 4-[[4-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoylamino]benzoate
CID 11632715
ethyl 4-(2-chloropropanoylamino)benzoate
CID 42599434
ethyl 4-[(3,5-dimethylphenyl)carbamoylamino]benzoate
CID 46859841
ethyl 4-[1-(5-methylfuran-2-yl)ethylamino]-4-oxobutanoate
CID 60660991
ethyl 4-[(4-phenylphenyl)carbamoylamino]benzoate
CID 108866989
ethyl 4-[[4-(dimethylamino)phenyl]carbamoylamino]benzoate
CID 108894702
ethyl 4-(prop-1-en-2-ylcarbamoylamino)benzoate
CID 108910149

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate?
The IUPAC name of ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate (CID 70396945) is ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NC(C)c2ccc(C)o2)cc1.
What is the InChIKey of ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate?
The InChIKey is GUBAKAFWTPVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-4-22-16(20)13-6-8-14(9-7-13)19-17(21)18-12(3)15-10-5-11(2)23-15/h5-10,12H,4H2,1-3H3,(H2,18,19,21).
What are the key properties of ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate?
ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate has a molecular weight of 316.36 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 70396945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).