5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid

Name: 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₇NO₄ — CID 120550881

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid

SMILESCC(C)c1ccc(N(C)C(=O)c2ccc(C(=O)O)o2)cc1

InChIInChI=1S/C16H17NO4/c1-10(2)11-4-6-12(7-5-11)17(3)15(18)13-8-9-14(21-13)16(19)20/h4-10H,1-3H3,(H,19,20)

InChIKeyOJFONGBBCUABTM-UHFFFAOYSA-N

MW287.32 g/mol

LogP3.38

Rot. Bonds4

About 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid

5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid (PubChem CID 120550881) has the molecular formula C₁₆H₁₇NO₄ and a molecular weight of 287.32 g/mol. Its IUPAC name is 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name	5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid
PubChem CID	120550881
Molecular Formula	C₁₆H₁₇NO₄
Molecular Weight	287.32 g/mol
Exact Mass	287.12
IUPAC Name	5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid
SMILES	CC(C)c1ccc(N(C)C(=O)c2ccc(C(=O)O)o2)cc1
InChI	InChI=1S/C16H17NO4/c1-10(2)11-4-6-12(7-5-11)17(3)15(18)13-8-9-14(21-13)16(19)20/h4-10H,1-3H3,(H,19,20)
InChIKey	OJFONGBBCUABTM-UHFFFAOYSA-N
XLogP	3.38
TPSA	70.75 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.32
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid?

The IUPAC name of 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid (CID 120550881) is 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid.

What is the SMILES notation for 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid?

The canonical SMILES for 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid is CC(C)c1ccc(N(C)C(=O)c2ccc(C(=O)O)o2)cc1.

What is the InChIKey of 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid?

The InChIKey is OJFONGBBCUABTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10(2)11-4-6-12(7-5-11)17(3)15(18)13-8-9-14(21-13)16(19)20/h4-10H,1-3H3,(H,19,20).

What are the key properties of 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid?

5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[methyl-(4-propan-2-ylphenyl)carbamoyl]furan-2-carboxylic acid is sourced from PubChem (CID 120550881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 120550881 — identifiers, structure, computed properties (public domain)

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