propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

C19H23N3O4 — CID 55835250

About propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (PubChem CID 55835250) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

Molecular Properties

• Compound Name: propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
• PubChem CID: 55835250
• Molecular Formula: C19H23N3O4
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.17
• IUPAC Name: propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
• SMILES: Cc1[nH]c(C(=O)NCC(=O)Nc2ccccc2)c(C)c1C(=O)OC(C)C
• InChI: InChI=1S/C19H23N3O4/c1-11(2)26-19(25)16-12(3)17(21-13(16)4)18(24)20-10-15(23)22-14-8-6-5-7-9-14/h5-9,11,21H,10H2,1-4H3,(H,20,24)(H,22,23)
• InChIKey: OJDNBGBUPFEZMM-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 100.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The IUPAC name of propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate (CID 55835250) is propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate.

What is the SMILES notation for propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The canonical SMILES for propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is Cc1[nH]c(C(=O)NCC(=O)Nc2ccccc2)c(C)c1C(=O)OC(C)C.

What is the InChIKey of propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

The InChIKey is OJDNBGBUPFEZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11(2)26-19(25)16-12(3)17(21-13(16)4)18(24)20-10-15(23)22-14-8-6-5-7-9-14/h5-9,11,21H,10H2,1-4H3,(H,20,24)(H,22,23).

What are the key properties of propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate?

propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate has a molecular weight of 357.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for propan-2-yl 5-[(2-anilino-2-oxoethyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55835250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).