5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid

C18H19NO4 — CID 138055063

IUPAC5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc1C(=O)NCC(c1ccccc1)C1CC1
InChIInChI=1S/C18H19NO4/c1-11-9-15(18(21)22)23-16(11)17(20)19-10-14(13-7-8-13)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyVYLMINVJSKWCMR-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.21
Rot. Bonds6

About 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid

5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid (PubChem CID 138055063) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid
PubChem CID138055063
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid
SMILESCc1cc(C(=O)O)oc1C(=O)NCC(c1ccccc1)C1CC1
InChIInChI=1S/C18H19NO4/c1-11-9-15(18(21)22)23-16(11)17(20)19-10-14(13-7-8-13)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,19,20)(H,21,22)
InChIKeyVYLMINVJSKWCMR-UHFFFAOYSA-N
XLogP3.21
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid (CID 138055063) is 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid is Cc1cc(C(=O)O)oc1C(=O)NCC(c1ccccc1)C1CC1.
What is the InChIKey of 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid?
The InChIKey is VYLMINVJSKWCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-9-15(18(21)22)23-16(11)17(20)19-10-14(13-7-8-13)12-5-3-2-4-6-12/h2-6,9,13-14H,7-8,10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid?
5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid has a molecular weight of 313.35 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopropyl-2-phenylethyl)carbamoyl]-4-methylfuran-2-carboxylic acid is sourced from PubChem (CID 138055063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).