ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate

C18H22N2O5 — CID 42944313

IUPACethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCC(CO)Cc2ccco2)cc1
InChIInChI=1S/C18H22N2O5/c1-2-24-17(22)14-5-7-15(8-6-14)20-18(23)19-11-13(12-21)10-16-4-3-9-25-16/h3-9,13,21H,2,10-12H2,1H3,(H2,19,20,23)
InChIKeyIOYYFVVOIODRGX-UHFFFAOYSA-N
MW346.38 g/mol
LogP2.43
Rot. Bonds8

About ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate

ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate (PubChem CID 42944313) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
PubChem CID42944313
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Nameethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)NCC(CO)Cc2ccco2)cc1
InChIInChI=1S/C18H22N2O5/c1-2-24-17(22)14-5-7-15(8-6-14)20-18(23)19-11-13(12-21)10-16-4-3-9-25-16/h3-9,13,21H,2,10-12H2,1H3,(H2,19,20,23)
InChIKeyIOYYFVVOIODRGX-UHFFFAOYSA-N
XLogP2.43
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-(4-nitrophenyl)urea
CID 42944308
ethyl 4-[[2-(furan-2-ylmethylamino)-2-oxoacetyl]amino]benzoate
CID 3122901
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[2-(furan-2-ylmethyl)-3-hydroxypropyl]urea
CID 72886953
1-[(2S)-2-(furan-2-ylmethyl)-3-hydroxypropyl]-3-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]urea
CID 97453437
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109187796
(3S)-4-(4-ethoxycarbonylanilino)-3-(furan-2-ylmethylamino)-4-oxobutanoic acid
CID 1077880
butyl 4-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]benzoate
CID 86993724
ethyl 4-(methoxymethylcarbamoylamino)benzoate
CID 71410631
ethyl 4-(benzylcarbamoylamino)benzoate
CID 6457861
(3R)-4-(4-ethoxycarbonylanilino)-3-(furan-2-ylmethylazaniumyl)-4-oxobutanoate
CID 6963885
ethyl 4-[[5-(furan-2-ylmethylamino)pyridine-3-carbonyl]amino]benzoate
CID 109231605

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate?
The IUPAC name of ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate (CID 42944313) is ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate.
What is the SMILES notation for ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate?
The canonical SMILES for ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate is CCOC(=O)c1ccc(NC(=O)NCC(CO)Cc2ccco2)cc1.
What is the InChIKey of ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate?
The InChIKey is IOYYFVVOIODRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-2-24-17(22)14-5-7-15(8-6-14)20-18(23)19-11-13(12-21)10-16-4-3-9-25-16/h3-9,13,21H,2,10-12H2,1H3,(H2,19,20,23).
What are the key properties of ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate?
ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate has a molecular weight of 346.38 g/mol, XLogP of 2.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(furan-2-ylmethyl)-3-hydroxypropyl]carbamoylamino]benzoate is sourced from PubChem (CID 42944313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).