5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid

C19H24N2O3 — CID 167786368

IUPAC5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCc1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)O)n2C)cc1
InChIInChI=1S/C19H24N2O3/c1-5-13-6-8-14(9-7-13)19(2,3)12-20-17(22)15-10-11-16(18(23)24)21(15)4/h6-11H,5,12H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyPINKVZWVPPYJAS-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.99
Rot. Bonds6

About 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid

5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid (PubChem CID 167786368) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid
PubChem CID167786368
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid
SMILESCCc1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)O)n2C)cc1
InChIInChI=1S/C19H24N2O3/c1-5-13-6-8-14(9-7-13)19(2,3)12-20-17(22)15-10-11-16(18(23)24)21(15)4/h6-11H,5,12H2,1-4H3,(H,20,22)(H,23,24)
InChIKeyPINKVZWVPPYJAS-UHFFFAOYSA-N
XLogP2.99
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid?
The IUPAC name of 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid (CID 167786368) is 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid.
What is the SMILES notation for 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid?
The canonical SMILES for 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid is CCc1ccc(C(C)(C)CNC(=O)c2ccc(C(=O)O)n2C)cc1.
What is the InChIKey of 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid?
The InChIKey is PINKVZWVPPYJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-5-13-6-8-14(9-7-13)19(2,3)12-20-17(22)15-10-11-16(18(23)24)21(15)4/h6-11H,5,12H2,1-4H3,(H,20,22)(H,23,24).
What are the key properties of 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid?
5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid has a molecular weight of 328.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-ethylphenyl)-2-methylpropyl]carbamoyl]-1-methylpyrrole-2-carboxylic acid is sourced from PubChem (CID 167786368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).