5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

C20H23NO5 — CID 120821378

IUPAC5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1C(=O)O
InChIInChI=1S/C20H23NO5/c1-2-17-16(20(23)24)11-18(26-17)19(22)21(13-15-9-6-10-25-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,23,24)
InChIKeyOIGQJDWKXYSYIE-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.36
Rot. Bonds7

About 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid

5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (PubChem CID 120821378) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
PubChem CID120821378
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid
SMILESCCc1oc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1C(=O)O
InChIInChI=1S/C20H23NO5/c1-2-17-16(20(23)24)11-18(26-17)19(22)21(13-15-9-6-10-25-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,23,24)
InChIKeyOIGQJDWKXYSYIE-UHFFFAOYSA-N
XLogP3.36
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[benzyl(oxolan-2-ylmethyl)carbamoyl]benzoic acid
CID 119182310
N-[(4-ethylphenyl)methyl]-2-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 6557652
(2S)-2-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide
CID 119302482
2-chloro-N-[(4-chlorophenyl)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 19118818
3-amino-N-benzyl-N-(oxolan-2-ylmethyl)propanamide;hydrochloride
CID 119302483
4-[benzyl-[[(2R)-oxolan-2-yl]methyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 129467722
N-[2-[benzyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 5052075
N-[(4-ethylphenyl)methyl]-6-fluoro-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541235
2-(4-aminophenyl)-N-benzyl-N-(oxolan-2-ylmethyl)acetamide
CID 119747350
N-benzyl-N-(oxolan-2-ylmethyl)-3-piperidin-4-ylbutanamide
CID 119747376
(2S)-N-benzyl-2-methylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 97061654
4-amino-N-benzyl-N-(oxolan-2-ylmethyl)pentanamide
CID 120561181

Frequently Asked Questions

What is the IUPAC name of 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The IUPAC name of 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid (CID 120821378) is 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid.
What is the SMILES notation for 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The canonical SMILES for 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is CCc1oc(C(=O)N(Cc2ccccc2)CC2CCCO2)cc1C(=O)O.
What is the InChIKey of 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
The InChIKey is OIGQJDWKXYSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-2-17-16(20(23)24)11-18(26-17)19(22)21(13-15-9-6-10-25-15)12-14-7-4-3-5-8-14/h3-5,7-8,11,15H,2,6,9-10,12-13H2,1H3,(H,23,24).
What are the key properties of 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid?
5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[benzyl(oxolan-2-ylmethyl)carbamoyl]-2-ethylfuran-3-carboxylic acid is sourced from PubChem (CID 120821378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).