ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate

C21H19NO5 — CID 34202497

IUPACethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1
InChIInChI=1S/C21H19NO5/c1-2-25-21(24)15-7-6-8-17(13-15)22-20(23)19-16(11-12-26-19)14-27-18-9-4-3-5-10-18/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyGIWQLXRAURZNGP-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.29
Rot. Bonds7

About ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate

ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate (PubChem CID 34202497) has the molecular formula C21H19NO5 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
PubChem CID34202497
Molecular FormulaC21H19NO5
Molecular Weight365.39 g/mol
Exact Mass365.13
IUPAC Nameethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate
SMILESCCOC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1
InChIInChI=1S/C21H19NO5/c1-2-25-21(24)15-7-6-8-17(13-15)22-20(23)19-16(11-12-26-19)14-27-18-9-4-3-5-10-18/h3-13H,2,14H2,1H3,(H,22,23)
InChIKeyGIWQLXRAURZNGP-UHFFFAOYSA-N
XLogP4.29
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoyl]amino]acetate
CID 55750582
ethyl N-[2-methyl-3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]carbamate
CID 87043175
N-[3-methyl-4-(tetrazol-1-yl)phenyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 55564411
N-ethoxy-3-(phenoxymethyl)furan-2-carboxamide
CID 30690709
3-(phenoxymethyl)-N-[3-(pyridin-2-ylmethoxy)phenyl]furan-2-carboxamide
CID 38668380
N-(1,3-benzodioxol-5-yl)-3-(phenoxymethyl)furan-2-carboxamide
CID 25398439
ethyl 3-[(4-ethoxybenzoyl)amino]benzoate
CID 836694
N-(2,4-dimethylphenyl)-3-(phenoxymethyl)furan-2-carboxamide
CID 17454230
ethyl (E)-2-cyano-3-[4-[[3-(phenoxymethyl)furan-2-carbonyl]amino]phenyl]prop-2-enoate
CID 30138413
3-[(3-cyanophenoxy)methyl]-N-(3-ethylsulfonylphenyl)furan-2-carboxamide
CID 86971496
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
N-[2-(diethylamino)-2-oxoethyl]-3-(phenoxymethyl)furan-2-carboxamide
CID 47079474

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate?
The IUPAC name of ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate (CID 34202497) is ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate is CCOC(=O)c1cccc(NC(=O)c2occc2COc2ccccc2)c1.
What is the InChIKey of ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate?
The InChIKey is GIWQLXRAURZNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO5/c1-2-25-21(24)15-7-6-8-17(13-15)22-20(23)19-16(11-12-26-19)14-27-18-9-4-3-5-10-18/h3-13H,2,14H2,1H3,(H,22,23).
What are the key properties of ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate?
ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate has a molecular weight of 365.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(phenoxymethyl)furan-2-carbonyl]amino]benzoate is sourced from PubChem (CID 34202497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).