2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid

C16H17NO5 — CID 120822184

IUPAC2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO5/c1-3-13-12(16(19)20)8-14(22-13)15(18)17-9-10-4-6-11(21-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNMGUGRLQKKMEPC-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.48
Rot. Bonds6

About 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid

2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid (PubChem CID 120822184) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
PubChem CID120822184
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
SMILESCCc1oc(C(=O)NCc2ccc(OC)cc2)cc1C(=O)O
InChIInChI=1S/C16H17NO5/c1-3-13-12(16(19)20)8-14(22-13)15(18)17-9-10-4-6-11(21-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyNMGUGRLQKKMEPC-UHFFFAOYSA-N
XLogP2.48
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-5-[2-(4-methoxyphenoxy)ethylcarbamoyl]furan-3-carboxylic acid
CID 120820781
5-[[4-(ethoxymethyl)phenyl]methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821000
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
2-ethyl-5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120820753
2-ethyl-5-[[4-(methanesulfonamido)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822531
2-ethyl-5-[(2,4,5-trimethoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821645
2-ethyl-5-(2-methoxyethylcarbamoyl)furan-3-carboxylic acid
CID 120820543
2-ethyl-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]furan-3-carboxylic acid
CID 120822190
2-ethyl-5-[2-(4-methylphenoxy)propylcarbamoyl]furan-3-carboxylic acid
CID 120821076
2-ethyl-5-[(3-ethyl-5-methoxy-1-methylpyrazol-4-yl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822737
2-ethyl-5-(2,2,2-trifluoroethylcarbamoyl)furan-3-carboxylic acid
CID 120821091

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The IUPAC name of 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid (CID 120822184) is 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The canonical SMILES for 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid is CCc1oc(C(=O)NCc2ccc(OC)cc2)cc1C(=O)O.
What is the InChIKey of 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
The InChIKey is NMGUGRLQKKMEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-3-13-12(16(19)20)8-14(22-13)15(18)17-9-10-4-6-11(21-2)7-5-10/h4-8H,3,9H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid?
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid is sourced from PubChem (CID 120822184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).